2-(2-cycloheptyloxyethyl)-1-(ethylamino)cyclopentane-1-carbonitrile

C17H30N2O — CID 79576704

IUPAC2-(2-cycloheptyloxyethyl)-1-(ethylamino)cyclopentane-1-carbonitrile
SMILESCCNC1(C#N)CCCC1CCOC1CCCCCC1
InChIInChI=1S/C17H30N2O/c1-2-19-17(14-18)12-7-8-15(17)11-13-20-16-9-5-3-4-6-10-16/h15-16,19H,2-13H2,1H3
InChIKeyJSCIXNOSHGYPOK-UHFFFAOYSA-N
MW278.44 g/mol
LogP3.79
Rot. Bonds6

About 2-(2-cycloheptyloxyethyl)-1-(ethylamino)cyclopentane-1-carbonitrile

2-(2-cycloheptyloxyethyl)-1-(ethylamino)cyclopentane-1-carbonitrile (PubChem CID 79576704) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is 2-(2-cycloheptyloxyethyl)-1-(ethylamino)cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name2-(2-cycloheptyloxyethyl)-1-(ethylamino)cyclopentane-1-carbonitrile
PubChem CID79576704
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC Name2-(2-cycloheptyloxyethyl)-1-(ethylamino)cyclopentane-1-carbonitrile
SMILESCCNC1(C#N)CCCC1CCOC1CCCCCC1
InChIInChI=1S/C17H30N2O/c1-2-19-17(14-18)12-7-8-15(17)11-13-20-16-9-5-3-4-6-10-16/h15-16,19H,2-13H2,1H3
InChIKeyJSCIXNOSHGYPOK-UHFFFAOYSA-N
XLogP3.79
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2-cycloheptyloxyethyl)-1-(ethylamino)cyclopentane-1-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-(oxolan-3-yloxy)ethyl]-1-(propylamino)cyclopentane-1-carbonitrile
CID 79578008
[2-(2-cyclohexyloxyethyl)-1-(ethylamino)cyclopentyl]methanol
CID 79581004
2-[2-(2,6-difluorophenoxy)ethyl]-1-(ethylamino)cyclopentane-1-carbonitrile
CID 81265068
1-amino-2-(2-cyclopentyloxyethyl)cyclopentane-1-carbonitrile
CID 79572377
2-[2-(cyclohexylmethoxy)ethyl]-1-(methylamino)cyclopentane-1-carbonitrile
CID 79578007
1-(ethylamino)-2-[2-[methyl(4-methylpentan-2-yl)amino]ethyl]cyclopentane-1-carbonitrile
CID 79565185
2-[2-(cyclopentylmethoxy)ethyl]-1-(methylamino)cyclopentane-1-carbonitrile
CID 79576565
2-[2-[cyclopropyl(ethyl)amino]ethyl]-1-(ethylamino)cyclopentane-1-carbonitrile
CID 79565829
2-[2-[2,2-dimethylpropyl(methyl)amino]ethyl]-1-(ethylamino)cyclopentane-1-carbonitrile
CID 79565774
2-(2-pentoxyethyl)-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
CID 79576809
1-(cyclopropylamino)-2-[2-(2-ethoxyethoxy)ethyl]cyclopentane-1-carbonitrile
CID 79572034
1-(methylamino)-2-[2-(3,3,5-trimethylcyclohexyl)oxyethyl]cyclopentane-1-carbonitrile
CID 79576507

Frequently Asked Questions

What is the IUPAC name of 2-(2-cycloheptyloxyethyl)-1-(ethylamino)cyclopentane-1-carbonitrile?
The IUPAC name of 2-(2-cycloheptyloxyethyl)-1-(ethylamino)cyclopentane-1-carbonitrile (CID 79576704) is 2-(2-cycloheptyloxyethyl)-1-(ethylamino)cyclopentane-1-carbonitrile.
What is the SMILES notation for 2-(2-cycloheptyloxyethyl)-1-(ethylamino)cyclopentane-1-carbonitrile?
The canonical SMILES for 2-(2-cycloheptyloxyethyl)-1-(ethylamino)cyclopentane-1-carbonitrile is CCNC1(C#N)CCCC1CCOC1CCCCCC1.
What is the InChIKey of 2-(2-cycloheptyloxyethyl)-1-(ethylamino)cyclopentane-1-carbonitrile?
The InChIKey is JSCIXNOSHGYPOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c1-2-19-17(14-18)12-7-8-15(17)11-13-20-16-9-5-3-4-6-10-16/h15-16,19H,2-13H2,1H3.
What are the key properties of 2-(2-cycloheptyloxyethyl)-1-(ethylamino)cyclopentane-1-carbonitrile?
2-(2-cycloheptyloxyethyl)-1-(ethylamino)cyclopentane-1-carbonitrile has a molecular weight of 278.44 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cycloheptyloxyethyl)-1-(ethylamino)cyclopentane-1-carbonitrile is sourced from PubChem (CID 79576704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).