1-cyclohexyl-N-ethenylbut-3-en-2-imine

C12H19N — CID 144801074

IUPAC1-cyclohexyl-N-ethenylbut-3-en-2-imine
SMILESC=C/N=C(\C=C)CC1CCCCC1
InChIInChI=1S/C12H19N/c1-3-12(13-4-2)10-11-8-6-5-7-9-11/h3-4,11H,1-2,5-10H2/b13-12+
InChIKeyCJPIHGIGMKEFFN-OUKQBFOZSA-N
MW177.29 g/mol
LogP3.73
Rot. Bonds4

About 1-cyclohexyl-N-ethenylbut-3-en-2-imine

1-cyclohexyl-N-ethenylbut-3-en-2-imine (PubChem CID 144801074) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is 1-cyclohexyl-N-ethenylbut-3-en-2-imine.

Molecular Properties

Compound Name1-cyclohexyl-N-ethenylbut-3-en-2-imine
PubChem CID144801074
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC Name1-cyclohexyl-N-ethenylbut-3-en-2-imine
SMILESC=C/N=C(\C=C)CC1CCCCC1
InChIInChI=1S/C12H19N/c1-3-12(13-4-2)10-11-8-6-5-7-9-11/h3-4,11H,1-2,5-10H2/b13-12+
InChIKeyCJPIHGIGMKEFFN-OUKQBFOZSA-N
XLogP3.73
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-Cyclohexylazocine
CID 57297876
Azabicyclo[4.3.1]decadiene
CID 129815785
4,5,6,7-tetrahydro-3aH-indole
CID 20614425
2-(Cyclohexylmethyl)azocine
CID 57248852
N-[(Z)-but-1-enyl]-2-methylcyclohexan-1-imine
CID 89200155
3-methylidene-2-(7-methyloct-1-en-2-yl)-4H-pyridine
CID 123886336
4,4a,5,6,7,8-Hexahydroquinoline
CID 126714288
2,3-Di(propan-2-yl)-3,4-dihydropyridine
CID 129014324
N-[(1Z)-buta-1,3-dienyl]-4-propyloct-1-en-3-imine
CID 129127582
2-(cyclohexylmethyl)-4-(2,2-dimethylpropyl)-4-methyl-3H-pyridine
CID 129191352
5-methyl-N-[(Z)-prop-1-enyl]hept-1-en-3-imine
CID 132247020
4-ethyl-N-[(Z)-prop-1-enyl]non-1-en-3-imine
CID 134276533

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-ethenylbut-3-en-2-imine?
The IUPAC name of 1-cyclohexyl-N-ethenylbut-3-en-2-imine (CID 144801074) is 1-cyclohexyl-N-ethenylbut-3-en-2-imine.
What is the SMILES notation for 1-cyclohexyl-N-ethenylbut-3-en-2-imine?
The canonical SMILES for 1-cyclohexyl-N-ethenylbut-3-en-2-imine is C=C/N=C(\C=C)CC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-N-ethenylbut-3-en-2-imine?
The InChIKey is CJPIHGIGMKEFFN-OUKQBFOZSA-N. The full InChI is InChI=1S/C12H19N/c1-3-12(13-4-2)10-11-8-6-5-7-9-11/h3-4,11H,1-2,5-10H2/b13-12+.
What are the key properties of 1-cyclohexyl-N-ethenylbut-3-en-2-imine?
1-cyclohexyl-N-ethenylbut-3-en-2-imine has a molecular weight of 177.29 g/mol, XLogP of 3.73, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-ethenylbut-3-en-2-imine is sourced from PubChem (CID 144801074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).