(Z)-N-(1-methylcyclohexyl)pent-2-en-1-imine

C12H21N — CID 91254295

IUPAC(Z)-N-(1-methylcyclohexyl)pent-2-en-1-imine
SMILESCC/C=C\C=N\C1(C)CCCCC1
InChIInChI=1S/C12H21N/c1-3-4-8-11-13-12(2)9-6-5-7-10-12/h4,8,11H,3,5-7,9-10H2,1-2H3/b8-4-,13-11+
InChIKeyZCERFPSGORXRQT-MKRIRVNLSA-N
MW179.31 g/mol
LogP3.75
Rot. Bonds3

About (Z)-N-(1-methylcyclohexyl)pent-2-en-1-imine

(Z)-N-(1-methylcyclohexyl)pent-2-en-1-imine (PubChem CID 91254295) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is (Z)-N-(1-methylcyclohexyl)pent-2-en-1-imine.

Molecular Properties

Compound Name(Z)-N-(1-methylcyclohexyl)pent-2-en-1-imine
PubChem CID91254295
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC Name(Z)-N-(1-methylcyclohexyl)pent-2-en-1-imine
SMILESCC/C=C\C=N\C1(C)CCCCC1
InChIInChI=1S/C12H21N/c1-3-4-8-11-13-12(2)9-6-5-7-10-12/h4,8,11H,3,5-7,9-10H2,1-2H3/b8-4-,13-11+
InChIKeyZCERFPSGORXRQT-MKRIRVNLSA-N
XLogP3.75
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 53.75
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

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9,9-Dimethyl-7-azaspiro[5.11]heptadeca-7,11,15-triene
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(11E,15E)-9,9-dimethyl-7-azaspiro[5.11]heptadeca-7,11,15-triene
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(1E)-N-[1-(Octa-2,7-dien-1-yl)cyclohexyl]propan-1-imine
CID 70601286
2-tert-butyl-3-ethyl-2-propyl-3H-pyridine
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2-Hexan-2-yl-2-methylpyrrole
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(6E)-2-ethyl-2-methyl-4,5-dihydro-3H-azocine
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3-(2-Methylbutyl)-2,3-dihydropyridine
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Frequently Asked Questions

What is the IUPAC name of (Z)-N-(1-methylcyclohexyl)pent-2-en-1-imine?
The IUPAC name of (Z)-N-(1-methylcyclohexyl)pent-2-en-1-imine (CID 91254295) is (Z)-N-(1-methylcyclohexyl)pent-2-en-1-imine.
What is the SMILES notation for (Z)-N-(1-methylcyclohexyl)pent-2-en-1-imine?
The canonical SMILES for (Z)-N-(1-methylcyclohexyl)pent-2-en-1-imine is CC/C=C\C=N\C1(C)CCCCC1.
What is the InChIKey of (Z)-N-(1-methylcyclohexyl)pent-2-en-1-imine?
The InChIKey is ZCERFPSGORXRQT-MKRIRVNLSA-N. The full InChI is InChI=1S/C12H21N/c1-3-4-8-11-13-12(2)9-6-5-7-10-12/h4,8,11H,3,5-7,9-10H2,1-2H3/b8-4-,13-11+.
What are the key properties of (Z)-N-(1-methylcyclohexyl)pent-2-en-1-imine?
(Z)-N-(1-methylcyclohexyl)pent-2-en-1-imine has a molecular weight of 179.31 g/mol, XLogP of 3.75, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(1-methylcyclohexyl)pent-2-en-1-imine is sourced from PubChem (CID 91254295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).