3-(cyclohexylamino)cyclohexane-1-carbonitrile

C13H22N2 — CID 66872054

IUPAC3-(cyclohexylamino)cyclohexane-1-carbonitrile
SMILESN#CC1CCCC(NC2CCCCC2)C1
InChIInChI=1S/C13H22N2/c14-10-11-5-4-8-13(9-11)15-12-6-2-1-3-7-12/h11-13,15H,1-9H2
InChIKeyYXESMIARGIBJJI-UHFFFAOYSA-N
MW206.33 g/mol
LogP2.99
Rot. Bonds2

About 3-(cyclohexylamino)cyclohexane-1-carbonitrile

3-(cyclohexylamino)cyclohexane-1-carbonitrile (PubChem CID 66872054) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is 3-(cyclohexylamino)cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name3-(cyclohexylamino)cyclohexane-1-carbonitrile
PubChem CID66872054
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name3-(cyclohexylamino)cyclohexane-1-carbonitrile
SMILESN#CC1CCCC(NC2CCCCC2)C1
InChIInChI=1S/C13H22N2/c14-10-11-5-4-8-13(9-11)15-12-6-2-1-3-7-12/h11-13,15H,1-9H2
InChIKeyYXESMIARGIBJJI-UHFFFAOYSA-N
XLogP2.99
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(cyclohexylamino)cyclohexane-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

cis-(1R,3S)-3-[(1-methylsulfonylpiperidin-4-yl)amino]cyclohexane-1-carbonitrile
CID 124624665
cyclooctanecarbonitrile
CID 13075060
cyclooctanecarbonitrile;methane
CID 173081929
cyclohexanecarbonitrile;hydrochloride
CID 141135021
N-cyclopropylcyclododecanamine
CID 16776852
3-(cyclohexylamino)cyclohexan-1-ol
CID 43751273
3-(thiolan-3-ylamino)cyclopentane-1-carbonitrile
CID 130979409
1-N-cyclohexylcyclobutane-1,3-diamine
CID 80559420
N-cyclohexylcyclohexanamine;ethane
CID 67925930
cyclohexanecarbonitrile;fluoromethane
CID 143506107
3-hydroxycyclohexane-1-carbonitrile
CID 22743809
cis-(1R,3S)-3-hydroxycyclohexane-1-carbonitrile
CID 69057748

Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexylamino)cyclohexane-1-carbonitrile?
The IUPAC name of 3-(cyclohexylamino)cyclohexane-1-carbonitrile (CID 66872054) is 3-(cyclohexylamino)cyclohexane-1-carbonitrile.
What is the SMILES notation for 3-(cyclohexylamino)cyclohexane-1-carbonitrile?
The canonical SMILES for 3-(cyclohexylamino)cyclohexane-1-carbonitrile is N#CC1CCCC(NC2CCCCC2)C1.
What is the InChIKey of 3-(cyclohexylamino)cyclohexane-1-carbonitrile?
The InChIKey is YXESMIARGIBJJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2/c14-10-11-5-4-8-13(9-11)15-12-6-2-1-3-7-12/h11-13,15H,1-9H2.
What are the key properties of 3-(cyclohexylamino)cyclohexane-1-carbonitrile?
3-(cyclohexylamino)cyclohexane-1-carbonitrile has a molecular weight of 206.33 g/mol, XLogP of 2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexylamino)cyclohexane-1-carbonitrile is sourced from PubChem (CID 66872054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).