N-(5-cyclohexyl-2-methylpent-2-en-3-yl)-1-(4-methylphenyl)ethanimine

C21H31N — CID 142217146

IUPACN-(5-cyclohexyl-2-methylpent-2-en-3-yl)-1-(4-methylphenyl)ethanimine
SMILESCC(C)=C(CCC1CCCCC1)/N=C(\C)c1ccc(C)cc1
InChIInChI=1S/C21H31N/c1-16(2)21(15-12-19-8-6-5-7-9-19)22-18(4)20-13-10-17(3)11-14-20/h10-11,13-14,19H,5-9,12,15H2,1-4H3/b22-18+
InChIKeyKYFIXVUSYYIYPP-RELWKKBWSA-N
MW297.49 g/mol
LogP6.46
Rot. Bonds5

About N-(5-cyclohexyl-2-methylpent-2-en-3-yl)-1-(4-methylphenyl)ethanimine

N-(5-cyclohexyl-2-methylpent-2-en-3-yl)-1-(4-methylphenyl)ethanimine (PubChem CID 142217146) has the molecular formula C21H31N and a molecular weight of 297.49 g/mol. Its IUPAC name is N-(5-cyclohexyl-2-methylpent-2-en-3-yl)-1-(4-methylphenyl)ethanimine.

Molecular Properties

Compound NameN-(5-cyclohexyl-2-methylpent-2-en-3-yl)-1-(4-methylphenyl)ethanimine
PubChem CID142217146
Molecular FormulaC21H31N
Molecular Weight297.49 g/mol
Exact Mass297.25
IUPAC NameN-(5-cyclohexyl-2-methylpent-2-en-3-yl)-1-(4-methylphenyl)ethanimine
SMILESCC(C)=C(CCC1CCCCC1)/N=C(\C)c1ccc(C)cc1
InChIInChI=1S/C21H31N/c1-16(2)21(15-12-19-8-6-5-7-9-19)22-18(4)20-13-10-17(3)11-14-20/h10-11,13-14,19H,5-9,12,15H2,1-4H3/b22-18+
InChIKeyKYFIXVUSYYIYPP-RELWKKBWSA-N
XLogP6.46
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.49
LogP ≤ 56.46
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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CID 10514463
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[4-[methyl-(4-methylbenzoyl)amino]phenyl] 3-cyclopentylpropanoate
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1-(cyclohexylmethyl)-4-methylbenzene
CID 11008690
1-(3-cyclopentylpropyl)-4-methylbenzene
CID 149264652
[(Z)-5-cyclohexylpent-2-en-3-yl]benzene
CID 11241663
3-cyclohexyl-1-(2-fluoro-5-methylphenyl)propan-1-one
CID 114970802
N-[4-(3-cyclopentylpropanoyl)phenyl]acetamide
CID 43337935
1-(1-cyclohexyl-6-methylhepta-3,6-dien-3-yl)-4-phenylbenzene
CID 123510893
3-cyclohexyl-1-(1,6-dimethylindol-3-yl)propan-1-one
CID 116547086
3-cyclohexyl-N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]propanamide
CID 47082069
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CID 115481878

Frequently Asked Questions

What is the IUPAC name of N-(5-cyclohexyl-2-methylpent-2-en-3-yl)-1-(4-methylphenyl)ethanimine?
The IUPAC name of N-(5-cyclohexyl-2-methylpent-2-en-3-yl)-1-(4-methylphenyl)ethanimine (CID 142217146) is N-(5-cyclohexyl-2-methylpent-2-en-3-yl)-1-(4-methylphenyl)ethanimine.
What is the SMILES notation for N-(5-cyclohexyl-2-methylpent-2-en-3-yl)-1-(4-methylphenyl)ethanimine?
The canonical SMILES for N-(5-cyclohexyl-2-methylpent-2-en-3-yl)-1-(4-methylphenyl)ethanimine is CC(C)=C(CCC1CCCCC1)/N=C(\C)c1ccc(C)cc1.
What is the InChIKey of N-(5-cyclohexyl-2-methylpent-2-en-3-yl)-1-(4-methylphenyl)ethanimine?
The InChIKey is KYFIXVUSYYIYPP-RELWKKBWSA-N. The full InChI is InChI=1S/C21H31N/c1-16(2)21(15-12-19-8-6-5-7-9-19)22-18(4)20-13-10-17(3)11-14-20/h10-11,13-14,19H,5-9,12,15H2,1-4H3/b22-18+.
What are the key properties of N-(5-cyclohexyl-2-methylpent-2-en-3-yl)-1-(4-methylphenyl)ethanimine?
N-(5-cyclohexyl-2-methylpent-2-en-3-yl)-1-(4-methylphenyl)ethanimine has a molecular weight of 297.49 g/mol, XLogP of 6.46, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclohexyl-2-methylpent-2-en-3-yl)-1-(4-methylphenyl)ethanimine is sourced from PubChem (CID 142217146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).