2-cyclohexyl-4H-azocin-3-imine

C13H18N2 — CID 57003188

IUPAC2-cyclohexyl-4H-azocin-3-imine
SMILES[H]/N=C1CC=CC=C/N=C\1C1CCCCC1
InChIInChI=1S/C13H18N2/c14-12-9-5-2-6-10-15-13(12)11-7-3-1-4-8-11/h2,5-6,10-11,14H,1,3-4,7-9H2/b5-2?,10-6?,14-12+,15-13-
InChIKeyJWJKHLAZKWNQQZ-YUFANMIGSA-N
MW202.30 g/mol
LogP3.50
Rot. Bonds1

About 2-cyclohexyl-4H-azocin-3-imine

2-cyclohexyl-4H-azocin-3-imine (PubChem CID 57003188) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 2-cyclohexyl-4H-azocin-3-imine.

Molecular Properties

Compound Name2-cyclohexyl-4H-azocin-3-imine
PubChem CID57003188
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC Name2-cyclohexyl-4H-azocin-3-imine
SMILES[H]/N=C1CC=CC=C/N=C\1C1CCCCC1
InChIInChI=1S/C13H18N2/c14-12-9-5-2-6-10-15-13(12)11-7-3-1-4-8-11/h2,5-6,10-11,14H,1,3-4,7-9H2/b5-2?,10-6?,14-12+,15-13-
InChIKeyJWJKHLAZKWNQQZ-YUFANMIGSA-N
XLogP3.50
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 2-cyclohexyl-4H-azocin-3-imine 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-Cyclohexylazocine
CID 57297876
2-(Cyclohexylmethyl)azocine
CID 57248852
2,3,4,5,6-Pentazabicyclo[12.3.1]octadeca-1,3,5,7,9-pentaene
CID 67700695
(1Z,3Z,7Z,9Z)-2,3,4,5,6-pentazabicyclo[12.3.1]octadeca-1,3,5,7,9-pentaene
CID 140379593
ethane;(2Z)-N-ethenyl-4-methyl-2-prop-2-enylidenecyclohexan-1-imine
CID 143030207
(2Z,4E)-1-cyclohexyl-N,4,5-trimethylhepta-2,4-dien-1-imine;(1Z,3Z)-penta-1,3-diene-1,4-diamine
CID 144928597
(1Z,3E,5Z)-3-ethylidene-5,6-dimethyl-4-methylidene-7-methyliminoocta-1,5-dien-1-amine;1-ethyl-4-methylcyclohexane;2-methylhex-1-ene
CID 164855886
(6Z)-6-(2-cyclohexylethylidene)-N-ethenylcyclohexa-2,4-dien-1-imine
CID 166670925
(Z)-2-[[(3E,5E)-6-cyclohexylhepta-3,5-dien-2-ylidene]amino]prop-1-en-1-amine
CID 166685339
3-Cyclohex-2-en-1-yl-3-ethyliminoprop-1-en-1-amine
CID 173678450
(5Z,7Z,10Z,13Z,15Z,18Z)-4,17-dimethylidene-10-prop-2-enylidene-20-azatricyclo[11.7.1.02,11]henicosa-1(20),2,5,7,13,15,18-heptaene
CID 174146155
(2Z)-N-ethenyl-4-methyl-2-prop-2-enylidenecyclohexan-1-imine
CID 143030208

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-4H-azocin-3-imine?
The IUPAC name of 2-cyclohexyl-4H-azocin-3-imine (CID 57003188) is 2-cyclohexyl-4H-azocin-3-imine.
What is the SMILES notation for 2-cyclohexyl-4H-azocin-3-imine?
The canonical SMILES for 2-cyclohexyl-4H-azocin-3-imine is [H]/N=C1CC=CC=C/N=C\1C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-4H-azocin-3-imine?
The InChIKey is JWJKHLAZKWNQQZ-YUFANMIGSA-N. The full InChI is InChI=1S/C13H18N2/c14-12-9-5-2-6-10-15-13(12)11-7-3-1-4-8-11/h2,5-6,10-11,14H,1,3-4,7-9H2/b5-2?,10-6?,14-12+,15-13-.
What are the key properties of 2-cyclohexyl-4H-azocin-3-imine?
2-cyclohexyl-4H-azocin-3-imine has a molecular weight of 202.30 g/mol, XLogP of 3.50, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-4H-azocin-3-imine is sourced from PubChem (CID 57003188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).