1-(cyclopentylamino)-2,3-dimethylcyclohexane-1-carbonitrile

C14H24N2 — CID 64755958

IUPAC1-(cyclopentylamino)-2,3-dimethylcyclohexane-1-carbonitrile
SMILESCC1CCCC(C#N)(NC2CCCC2)C1C
InChIInChI=1S/C14H24N2/c1-11-6-5-9-14(10-15,12(11)2)16-13-7-3-4-8-13/h11-13,16H,3-9H2,1-2H3
InChIKeySLRGVWXUZDTPPG-UHFFFAOYSA-N
MW220.36 g/mol
LogP3.24
Rot. Bonds2

About 1-(cyclopentylamino)-2,3-dimethylcyclohexane-1-carbonitrile

1-(cyclopentylamino)-2,3-dimethylcyclohexane-1-carbonitrile (PubChem CID 64755958) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is 1-(cyclopentylamino)-2,3-dimethylcyclohexane-1-carbonitrile.

Molecular Properties

Compound Name1-(cyclopentylamino)-2,3-dimethylcyclohexane-1-carbonitrile
PubChem CID64755958
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name1-(cyclopentylamino)-2,3-dimethylcyclohexane-1-carbonitrile
SMILESCC1CCCC(C#N)(NC2CCCC2)C1C
InChIInChI=1S/C14H24N2/c1-11-6-5-9-14(10-15,12(11)2)16-13-7-3-4-8-13/h11-13,16H,3-9H2,1-2H3
InChIKeySLRGVWXUZDTPPG-UHFFFAOYSA-N
XLogP3.24
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(cyclopentylamino)-2,3-dimethylcyclohexane-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

3-(cyclopentylamino)-2-methylthiane-3-carbonitrile
CID 79951745
1-(cyclopentylamino)-2,5-dimethylcyclohexane-1-carbonitrile
CID 64755960
1-(3-hydroxypropylamino)-2,3-dimethylcyclohexane-1-carbonitrile
CID 64755156
1-(2-fluoroanilino)-2,3-dimethylcyclohexane-1-carbonitrile
CID 64755143
1-(2-bromoanilino)-2,3-dimethylcyclohexane-1-carbonitrile
CID 64754732
1-(cyclopentylamino)cyclopentane-1-carbonitrile
CID 28702667
1-(cycloheptylamino)cyclooctane-1-carbonitrile
CID 54894299
1-(cycloheptylamino)-4-ethylcycloheptane-1-carbonitrile
CID 65088445
2-methyl-1-(methylamino)cyclohexane-1-carbonitrile
CID 43115025
1-(cyclopropylamino)-2-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethyl]cyclopentane-1-carbonitrile
CID 104960206
4-(cycloheptylamino)-1-azabicyclo[3.2.1]octane-4-carbonitrile
CID 105365366
1-(methylamino)-2-[2-[methyl-(2-methylcyclohexyl)amino]ethyl]cyclopentane-1-carbonitrile
CID 79566158

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopentylamino)-2,3-dimethylcyclohexane-1-carbonitrile?
The IUPAC name of 1-(cyclopentylamino)-2,3-dimethylcyclohexane-1-carbonitrile (CID 64755958) is 1-(cyclopentylamino)-2,3-dimethylcyclohexane-1-carbonitrile.
What is the SMILES notation for 1-(cyclopentylamino)-2,3-dimethylcyclohexane-1-carbonitrile?
The canonical SMILES for 1-(cyclopentylamino)-2,3-dimethylcyclohexane-1-carbonitrile is CC1CCCC(C#N)(NC2CCCC2)C1C.
What is the InChIKey of 1-(cyclopentylamino)-2,3-dimethylcyclohexane-1-carbonitrile?
The InChIKey is SLRGVWXUZDTPPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-11-6-5-9-14(10-15,12(11)2)16-13-7-3-4-8-13/h11-13,16H,3-9H2,1-2H3.
What are the key properties of 1-(cyclopentylamino)-2,3-dimethylcyclohexane-1-carbonitrile?
1-(cyclopentylamino)-2,3-dimethylcyclohexane-1-carbonitrile has a molecular weight of 220.36 g/mol, XLogP of 3.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopentylamino)-2,3-dimethylcyclohexane-1-carbonitrile is sourced from PubChem (CID 64755958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).