(Z)-N-methyl-2-[1-(4-methylcyclohexyl)ethenyl]hept-1-en-1-amine

C17H31N — CID 155129918

IUPAC(Z)-N-methyl-2-[1-(4-methylcyclohexyl)ethenyl]hept-1-en-1-amine
SMILESC=C(/C(=C\NC)CCCCC)C1CCC(C)CC1
InChIInChI=1S/C17H31N/c1-5-6-7-8-17(13-18-4)15(3)16-11-9-14(2)10-12-16/h13-14,16,18H,3,5-12H2,1-2,4H3/b17-13-
InChIKeySJQLGLSZLYAROK-LGMDPLHJSA-N
MW249.44 g/mol
LogP5.05
Rot. Bonds7

About (Z)-N-methyl-2-[1-(4-methylcyclohexyl)ethenyl]hept-1-en-1-amine

(Z)-N-methyl-2-[1-(4-methylcyclohexyl)ethenyl]hept-1-en-1-amine (PubChem CID 155129918) has the molecular formula C17H31N and a molecular weight of 249.44 g/mol. Its IUPAC name is (Z)-N-methyl-2-[1-(4-methylcyclohexyl)ethenyl]hept-1-en-1-amine.

Molecular Properties

Compound Name(Z)-N-methyl-2-[1-(4-methylcyclohexyl)ethenyl]hept-1-en-1-amine
PubChem CID155129918
Molecular FormulaC17H31N
Molecular Weight249.44 g/mol
Exact Mass249.25
IUPAC Name(Z)-N-methyl-2-[1-(4-methylcyclohexyl)ethenyl]hept-1-en-1-amine
SMILESC=C(/C(=C\NC)CCCCC)C1CCC(C)CC1
InChIInChI=1S/C17H31N/c1-5-6-7-8-17(13-18-4)15(3)16-11-9-14(2)10-12-16/h13-14,16,18H,3,5-12H2,1-2,4H3/b17-13-
InChIKeySJQLGLSZLYAROK-LGMDPLHJSA-N
XLogP5.05
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500249.44
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(4-methylcyclohexyl)pentan-1-one
CID 62621945
1-hept-1-en-2-yl-3-methylpyrrolidine
CID 89279754
7-hept-1-en-2-yl-1,2,3,4,4a,5,6,7,8,9,10,10a-dodecahydrobenzo[8]annulene
CID 90977490
1-cyclopropyl-2-methylidenepentadecan-1-one
CID 67378956
1-(3,4-dimethylpenta-1,3-dien-2-yl)-4-methylcyclohexane
CID 163611322
1,4-dimethylcyclohexane;4-methylideneoctan-2-one
CID 142228416
3-(hexanoylamino)cyclopentane-1-carboxylic acid
CID 66030150
cis-(1R,3S)-3-(hexanoylamino)cyclopentane-1-carboxylic acid
CID 106320393
1-(4-methylpiperidin-1-yl)tetradecan-1-one
CID 10425459
methyl 2-cyclohexylprop-2-enoate;methyl 2-methylideneicosanoate
CID 174928874
1-hexyl-4-(1-methoxyethenyl)cyclohexane
CID 163498140
butane;bis(hexane);bis(methylcyclopentane)
CID 162195101

Frequently Asked Questions

What is the IUPAC name of (Z)-N-methyl-2-[1-(4-methylcyclohexyl)ethenyl]hept-1-en-1-amine?
The IUPAC name of (Z)-N-methyl-2-[1-(4-methylcyclohexyl)ethenyl]hept-1-en-1-amine (CID 155129918) is (Z)-N-methyl-2-[1-(4-methylcyclohexyl)ethenyl]hept-1-en-1-amine.
What is the SMILES notation for (Z)-N-methyl-2-[1-(4-methylcyclohexyl)ethenyl]hept-1-en-1-amine?
The canonical SMILES for (Z)-N-methyl-2-[1-(4-methylcyclohexyl)ethenyl]hept-1-en-1-amine is C=C(/C(=C\NC)CCCCC)C1CCC(C)CC1.
What is the InChIKey of (Z)-N-methyl-2-[1-(4-methylcyclohexyl)ethenyl]hept-1-en-1-amine?
The InChIKey is SJQLGLSZLYAROK-LGMDPLHJSA-N. The full InChI is InChI=1S/C17H31N/c1-5-6-7-8-17(13-18-4)15(3)16-11-9-14(2)10-12-16/h13-14,16,18H,3,5-12H2,1-2,4H3/b17-13-.
What are the key properties of (Z)-N-methyl-2-[1-(4-methylcyclohexyl)ethenyl]hept-1-en-1-amine?
(Z)-N-methyl-2-[1-(4-methylcyclohexyl)ethenyl]hept-1-en-1-amine has a molecular weight of 249.44 g/mol, XLogP of 5.05, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-methyl-2-[1-(4-methylcyclohexyl)ethenyl]hept-1-en-1-amine is sourced from PubChem (CID 155129918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).