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2D Structure
Also known as: 25419-06-1, N-methylpentan-1-amine, Amylmethylamine, 1-pentanamine, n-methyl-, N-methylamylamine, Methylpentylamine
Molecular Formula
C6H15N
Molecular Weight
101.19  g/mol
InChI Key
UOIWOHLIGKIYFE-UHFFFAOYSA-N

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
N-methylpentan-1-amine
2.1.2 InChI
InChI=1S/C6H15N/c1-3-4-5-6-7-2/h7H,3-6H2,1-2H3
2.1.3 InChI Key
UOIWOHLIGKIYFE-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CCCCCNC
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 25419-06-1

2. N-methylpentan-1-amine

3. Amylmethylamine

4. 1-pentanamine, N-methyl-

5. N-methylamylamine

6. Methylpentylamine

7. Pentylamine, N-methyl-

8. Methyl-pentyl-amine

9. N-methyl-n-pentylamine

10. Methyl(pentyl)amine

11. Methylamylamine

12. N-pentylmethylamine

13. N-methylpentanamine

14. Einecs 246-966-9

15. N-methyl-n-amylamine

16. N-amyl-n-methylamine

17. N-methyl-1-pentanamine

18. N-methylpentylamine, 98%

19. Schembl231680

20. Chembl298481

21. Dtxsid90180082

22. Albb-022351

23. Zinc2390167

24. Mfcd00041354

25. Akos000162079

26. Cs-w016645

27. Bs-16259

28. Db-000336

29. A5128

30. Ft-0638523

31. M2231

32. D91584

33. 419m061

34. Q6036780

35. W-107238

2.3 Create Date
2005-03-27
3 Chemical and Physical Properties
Molecular Weight 101.19 g/mol
Molecular Formula C6H15N
XLogP31.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count4
Exact Mass101.120449483 g/mol
Monoisotopic Mass101.120449483 g/mol
Topological Polar Surface Area12 Ų
Heavy Atom Count7
Formal Charge0
Complexity27.4
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1