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

C14H25N — CID 144801073

IUPAC1-cyclohexyl-N-ethenylbut-3-en-2-imine;ethane
SMILESC=C/N=C(\C=C)CC1CCCCC1.CC
InChIInChI=1S/C12H19N.C2H6/c1-3-12(13-4-2)10-11-8-6-5-7-9-11;1-2/h3-4,11H,1-2,5-10H2;1-2H3/b13-12+;
InChIKeyWLIHRCOBXSMPEU-UEIGIMKUSA-N
MW207.36 g/mol
LogP4.75
Rot. Bonds4

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

1-cyclohexyl-N-ethenylbut-3-en-2-imine;ethane (PubChem CID 144801073) has the molecular formula C14H25N and a molecular weight of 207.36 g/mol. Its IUPAC name is 1-cyclohexyl-N-ethenylbut-3-en-2-imine;ethane.

Molecular Properties

Compound Name1-cyclohexyl-N-ethenylbut-3-en-2-imine;ethane
PubChem CID144801073
Molecular FormulaC14H25N
Molecular Weight207.36 g/mol
Exact Mass207.20
IUPAC Name1-cyclohexyl-N-ethenylbut-3-en-2-imine;ethane
SMILESC=C/N=C(\C=C)CC1CCCCC1.CC
InChIInChI=1S/C12H19N.C2H6/c1-3-12(13-4-2)10-11-8-6-5-7-9-11;1-2/h3-4,11H,1-2,5-10H2;1-2H3/b13-12+;
InChIKeyWLIHRCOBXSMPEU-UEIGIMKUSA-N
XLogP4.75
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.36
LogP ≤ 54.75
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
2-(2-Fluoro-2-methylpropyl)-3-methyl-3,4-dihydropyridine
CID 141419498
Azabicyclo[4.3.1]decadiene
CID 129815785
2-Propan-2-yl-3,4-dihydropyridine
CID 14979254
4,5,6,7-tetrahydro-3aH-indole
CID 20614425
2-(Cyclohexylmethyl)azocine
CID 57248852
(4S)-2-ethyl-4-methyl-3,4-dihydropyridine
CID 89163833
N-[(Z)-but-1-enyl]-2-methylcyclohexan-1-imine
CID 89200155
N-pentyl-2-prop-2-enylcyclohexan-1-imine
CID 121391547
3-methylidene-2-(7-methyloct-1-en-2-yl)-4H-pyridine
CID 123886336
N-[(1Z)-buta-1,3-dienyl]-4-pentyldec-1-en-3-imine
CID 126626544
N-[(1Z)-buta-1,3-dienyl]-4-hexyldec-1-en-3-imine
CID 126626575

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-ethenylbut-3-en-2-imine;ethane?
The IUPAC name of 1-cyclohexyl-N-ethenylbut-3-en-2-imine;ethane (CID 144801073) is 1-cyclohexyl-N-ethenylbut-3-en-2-imine;ethane.
What is the SMILES notation for 1-cyclohexyl-N-ethenylbut-3-en-2-imine;ethane?
The canonical SMILES for 1-cyclohexyl-N-ethenylbut-3-en-2-imine;ethane is C=C/N=C(\C=C)CC1CCCCC1.CC.
What is the InChIKey of 1-cyclohexyl-N-ethenylbut-3-en-2-imine;ethane?
The InChIKey is WLIHRCOBXSMPEU-UEIGIMKUSA-N. The full InChI is InChI=1S/C12H19N.C2H6/c1-3-12(13-4-2)10-11-8-6-5-7-9-11;1-2/h3-4,11H,1-2,5-10H2;1-2H3/b13-12+;.
What are the key properties of 1-cyclohexyl-N-ethenylbut-3-en-2-imine;ethane?
1-cyclohexyl-N-ethenylbut-3-en-2-imine;ethane has a molecular weight of 207.36 g/mol, XLogP of 4.75, 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;ethane is sourced from PubChem (CID 144801073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).