1-(cycloheptylamino)-4-ethylcycloheptane-1-carbonitrile

C17H30N2 — CID 65088445

IUPAC1-(cycloheptylamino)-4-ethylcycloheptane-1-carbonitrile
SMILESCCC1CCCC(C#N)(NC2CCCCCC2)CC1
InChIInChI=1S/C17H30N2/c1-2-15-8-7-12-17(14-18,13-11-15)19-16-9-5-3-4-6-10-16/h15-16,19H,2-13H2,1H3
InChIKeyYURRANBFEIITJO-UHFFFAOYSA-N
MW262.44 g/mol
LogP4.55
Rot. Bonds3

About 1-(cycloheptylamino)-4-ethylcycloheptane-1-carbonitrile

1-(cycloheptylamino)-4-ethylcycloheptane-1-carbonitrile (PubChem CID 65088445) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is 1-(cycloheptylamino)-4-ethylcycloheptane-1-carbonitrile.

Molecular Properties

Compound Name1-(cycloheptylamino)-4-ethylcycloheptane-1-carbonitrile
PubChem CID65088445
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC Name1-(cycloheptylamino)-4-ethylcycloheptane-1-carbonitrile
SMILESCCC1CCCC(C#N)(NC2CCCCCC2)CC1
InChIInChI=1S/C17H30N2/c1-2-15-8-7-12-17(14-18,13-11-15)19-16-9-5-3-4-6-10-16/h15-16,19H,2-13H2,1H3
InChIKeyYURRANBFEIITJO-UHFFFAOYSA-N
XLogP4.55
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(cycloheptylamino)-4-ethylcycloheptane-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

1-(cycloheptylamino)-4-propylcycloheptane-1-carbonitrile
CID 65089014
1-(cycloheptylamino)cyclooctane-1-carbonitrile
CID 54894299
1-(cyclopentylamino)cyclopentane-1-carbonitrile
CID 28702667
1-(cyclopropylamino)-3-ethylcyclopentane-1-carbonitrile
CID 64513094
1-(cyclopropylamino)cyclohexane-1-carbonitrile
CID 28702726
4-ethyl-1-(methylamino)cyclohexane-1-carbonitrile
CID 43115038
1-[2-(diethylamino)ethylamino]-4-ethylcycloheptane-1-carbonitrile
CID 65088092
N-(1-cyano-4-ethylcyclohexyl)acetamide
CID 61120751
1-(aminomethyl)-N-cycloheptyl-4-ethylcycloheptan-1-amine
CID 65379731
N-(1-cyano-4-ethylcyclohexyl)cyclohexanesulfonamide
CID 61125083
N-(1-cyano-4-ethylcyclohexyl)cyclooctanecarboxamide
CID 65018223
4-ethyl-1-(4-methylanilino)cycloheptane-1-carbonitrile
CID 65088189

Frequently Asked Questions

What is the IUPAC name of 1-(cycloheptylamino)-4-ethylcycloheptane-1-carbonitrile?
The IUPAC name of 1-(cycloheptylamino)-4-ethylcycloheptane-1-carbonitrile (CID 65088445) is 1-(cycloheptylamino)-4-ethylcycloheptane-1-carbonitrile.
What is the SMILES notation for 1-(cycloheptylamino)-4-ethylcycloheptane-1-carbonitrile?
The canonical SMILES for 1-(cycloheptylamino)-4-ethylcycloheptane-1-carbonitrile is CCC1CCCC(C#N)(NC2CCCCCC2)CC1.
What is the InChIKey of 1-(cycloheptylamino)-4-ethylcycloheptane-1-carbonitrile?
The InChIKey is YURRANBFEIITJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2/c1-2-15-8-7-12-17(14-18,13-11-15)19-16-9-5-3-4-6-10-16/h15-16,19H,2-13H2,1H3.
What are the key properties of 1-(cycloheptylamino)-4-ethylcycloheptane-1-carbonitrile?
1-(cycloheptylamino)-4-ethylcycloheptane-1-carbonitrile has a molecular weight of 262.44 g/mol, XLogP of 4.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cycloheptylamino)-4-ethylcycloheptane-1-carbonitrile is sourced from PubChem (CID 65088445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).