4-(cyclohexa-1,3-dien-1-ylmethylamino)cyclohexane-1-carbonitrile

C14H20N2 — CID 123424236

IUPAC4-(cyclohexa-1,3-dien-1-ylmethylamino)cyclohexane-1-carbonitrile
SMILESN#CC1CCC(NCC2=CC=CCC2)CC1
InChIInChI=1S/C14H20N2/c15-10-12-6-8-14(9-7-12)16-11-13-4-2-1-3-5-13/h1-2,4,12,14,16H,3,5-9,11H2
InChIKeyJYAOGNGCKNARFQ-UHFFFAOYSA-N
MW216.33 g/mol
LogP2.93
Rot. Bonds3

About 4-(cyclohexa-1,3-dien-1-ylmethylamino)cyclohexane-1-carbonitrile

4-(cyclohexa-1,3-dien-1-ylmethylamino)cyclohexane-1-carbonitrile (PubChem CID 123424236) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is 4-(cyclohexa-1,3-dien-1-ylmethylamino)cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name4-(cyclohexa-1,3-dien-1-ylmethylamino)cyclohexane-1-carbonitrile
PubChem CID123424236
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC Name4-(cyclohexa-1,3-dien-1-ylmethylamino)cyclohexane-1-carbonitrile
SMILESN#CC1CCC(NCC2=CC=CCC2)CC1
InChIInChI=1S/C14H20N2/c15-10-12-6-8-14(9-7-12)16-11-13-4-2-1-3-5-13/h1-2,4,12,14,16H,3,5-9,11H2
InChIKeyJYAOGNGCKNARFQ-UHFFFAOYSA-N
XLogP2.93
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(cyclohexa-1,3-dien-1-ylmethylamino)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

Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexa-1,3-dien-1-ylmethylamino)cyclohexane-1-carbonitrile?
The IUPAC name of 4-(cyclohexa-1,3-dien-1-ylmethylamino)cyclohexane-1-carbonitrile (CID 123424236) is 4-(cyclohexa-1,3-dien-1-ylmethylamino)cyclohexane-1-carbonitrile.
What is the SMILES notation for 4-(cyclohexa-1,3-dien-1-ylmethylamino)cyclohexane-1-carbonitrile?
The canonical SMILES for 4-(cyclohexa-1,3-dien-1-ylmethylamino)cyclohexane-1-carbonitrile is N#CC1CCC(NCC2=CC=CCC2)CC1.
What is the InChIKey of 4-(cyclohexa-1,3-dien-1-ylmethylamino)cyclohexane-1-carbonitrile?
The InChIKey is JYAOGNGCKNARFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2/c15-10-12-6-8-14(9-7-12)16-11-13-4-2-1-3-5-13/h1-2,4,12,14,16H,3,5-9,11H2.
What are the key properties of 4-(cyclohexa-1,3-dien-1-ylmethylamino)cyclohexane-1-carbonitrile?
4-(cyclohexa-1,3-dien-1-ylmethylamino)cyclohexane-1-carbonitrile has a molecular weight of 216.33 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexa-1,3-dien-1-ylmethylamino)cyclohexane-1-carbonitrile is sourced from PubChem (CID 123424236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).