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2D Structure
Also known as: 7712-50-7, 2-[2-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)ethoxy]-n,n-diethylethanamine, Myrtecain, Schembl26074, Chembl1630579, Dtxsid00864109
Molecular Formula
C17H31NO
Molecular Weight
265.4  g/mol
InChI Key
BZRYYBWNOUALTQ-UHFFFAOYSA-N

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-[2-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)ethoxy]-N,N-diethylethanamine
2.1.2 InChI
InChI=1S/C17H31NO/c1-5-18(6-2)10-12-19-11-9-14-7-8-15-13-16(14)17(15,3)4/h7,15-16H,5-6,8-13H2,1-4H3
2.1.3 InChI Key
BZRYYBWNOUALTQ-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CCN(CC)CCOCCC1=CCC2CC1C2(C)C
2.2 Synonyms
2.2.1 MeSH Synonyms

1. 2-homomyrtenyloxy-1-(diethylamino)-ethane

2. Nopoxamine

2.2.2 Depositor-Supplied Synonyms

1. 7712-50-7

2. 2-[2-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)ethoxy]-n,n-diethylethanamine

3. Myrtecain

4. Schembl26074

5. Chembl1630579

6. Dtxsid00864109

7. 3-(4-methanesulfonylbenzoyl)propionicacid

8. 2-[2-(6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl)ethoxy]-n,n-diethylethan-1-amine

2.3 Create Date
2005-08-08
3 Chemical and Physical Properties
Molecular Weight 265.4 g/mol
Molecular Formula C17H31NO
XLogP33.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count8
Exact Mass265.240564612 g/mol
Monoisotopic Mass265.240564612 g/mol
Topological Polar Surface Area12.5 Ų
Heavy Atom Count19
Formal Charge0
Complexity317
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1