1-(4,4-dimethylcyclohexen-1-yl)-N-ethenylethanimine

C12H19N — CID 144570262

IUPAC1-(4,4-dimethylcyclohexen-1-yl)-N-ethenylethanimine
SMILESC=C/N=C(\C)C1=CCC(C)(C)CC1
InChIInChI=1S/C12H19N/c1-5-13-10(2)11-6-8-12(3,4)9-7-11/h5-6H,1,7-9H2,2-4H3/b13-10+
InChIKeyYEHRFRUYQAFZPY-JLHYYAGUSA-N
MW177.29 g/mol
LogP3.73
Rot. Bonds2

About 1-(4,4-dimethylcyclohexen-1-yl)-N-ethenylethanimine

1-(4,4-dimethylcyclohexen-1-yl)-N-ethenylethanimine (PubChem CID 144570262) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is 1-(4,4-dimethylcyclohexen-1-yl)-N-ethenylethanimine.

Molecular Properties

Compound Name1-(4,4-dimethylcyclohexen-1-yl)-N-ethenylethanimine
PubChem CID144570262
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC Name1-(4,4-dimethylcyclohexen-1-yl)-N-ethenylethanimine
SMILESC=C/N=C(\C)C1=CCC(C)(C)CC1
InChIInChI=1S/C12H19N/c1-5-13-10(2)11-6-8-12(3,4)9-7-11/h5-6H,1,7-9H2,2-4H3/b13-10+
InChIKeyYEHRFRUYQAFZPY-JLHYYAGUSA-N
XLogP3.73
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
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

4-methyl-7-[4-(trifluoromethyl)cyclohexen-1-yl]-4H-azepine
CID 123985591
4-(4-cyclobutylidenecyclohexyl)-2-[(Z)-3-fluoroprop-1-enyl]-3,4-dimethyl-3H-pyridine
CID 155419681
Ethyl-(3,5,5-trimethyl-cyclohex-2-enylidene)-amine
CID 11205971
3,5,5-trimethyl-N-(2-methylpropyl)cyclohex-2-en-1-imine
CID 70516911
N,2,5,5-tetramethylcyclohex-2-en-1-imine
CID 86038796
(1Z)-3,5,5-Trimethyl-N-(prop-2-en-1-yl)cyclohex-2-en-1-imine
CID 238062
(5E,9E)-2-[2-(1-propylcyclohexyl)ethyl]-1-azacyclododeca-1,5,9-triene
CID 22816624
2-(3,3-dimethylbutyl)-4H-pyridin-4-ide;2-methylpropane;bis(vanadium);vanadium(2+)
CID 58055106
6-(2,2-dimethylpropyl)-7-methyl-4H-azepine
CID 67560950
N-ethenyl-6-methylcyclohex-2-en-1-imine
CID 68332943
2,4-ditert-butyl-4-methyl-3H-pyridine
CID 68817500
N,3,5,5-tetramethylcyclohex-2-en-1-imine
CID 70518167

Frequently Asked Questions

What is the IUPAC name of 1-(4,4-dimethylcyclohexen-1-yl)-N-ethenylethanimine?
The IUPAC name of 1-(4,4-dimethylcyclohexen-1-yl)-N-ethenylethanimine (CID 144570262) is 1-(4,4-dimethylcyclohexen-1-yl)-N-ethenylethanimine.
What is the SMILES notation for 1-(4,4-dimethylcyclohexen-1-yl)-N-ethenylethanimine?
The canonical SMILES for 1-(4,4-dimethylcyclohexen-1-yl)-N-ethenylethanimine is C=C/N=C(\C)C1=CCC(C)(C)CC1.
What is the InChIKey of 1-(4,4-dimethylcyclohexen-1-yl)-N-ethenylethanimine?
The InChIKey is YEHRFRUYQAFZPY-JLHYYAGUSA-N. The full InChI is InChI=1S/C12H19N/c1-5-13-10(2)11-6-8-12(3,4)9-7-11/h5-6H,1,7-9H2,2-4H3/b13-10+.
What are the key properties of 1-(4,4-dimethylcyclohexen-1-yl)-N-ethenylethanimine?
1-(4,4-dimethylcyclohexen-1-yl)-N-ethenylethanimine has a molecular weight of 177.29 g/mol, XLogP of 3.73, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-dimethylcyclohexen-1-yl)-N-ethenylethanimine is sourced from PubChem (CID 144570262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).