(Z)-3-(cyclohexylidenemethyl)-N,N-dimethylnon-3-enamide

C18H31NO — CID 135033978

IUPAC(Z)-3-(cyclohexylidenemethyl)-N,N-dimethylnon-3-enamide
SMILESCCCCC/C=C(\C=C1CCCCC1)CC(=O)N(C)C
InChIInChI=1S/C18H31NO/c1-4-5-6-8-13-17(15-18(20)19(2)3)14-16-11-9-7-10-12-16/h13-14H,4-12,15H2,1-3H3/b17-13+
InChIKeyBTOWANVZMUOKDX-GHRIWEEISA-N
MW277.45 g/mol
LogP4.86
Rot. Bonds7

About (Z)-3-(cyclohexylidenemethyl)-N,N-dimethylnon-3-enamide

(Z)-3-(cyclohexylidenemethyl)-N,N-dimethylnon-3-enamide (PubChem CID 135033978) has the molecular formula C18H31NO and a molecular weight of 277.45 g/mol. Its IUPAC name is (Z)-3-(cyclohexylidenemethyl)-N,N-dimethylnon-3-enamide.

Molecular Properties

Compound Name(Z)-3-(cyclohexylidenemethyl)-N,N-dimethylnon-3-enamide
PubChem CID135033978
Molecular FormulaC18H31NO
Molecular Weight277.45 g/mol
Exact Mass277.24
IUPAC Name(Z)-3-(cyclohexylidenemethyl)-N,N-dimethylnon-3-enamide
SMILESCCCCC/C=C(\C=C1CCCCC1)CC(=O)N(C)C
InChIInChI=1S/C18H31NO/c1-4-5-6-8-13-17(15-18(20)19(2)3)14-16-11-9-7-10-12-16/h13-14H,4-12,15H2,1-3H3/b17-13+
InChIKeyBTOWANVZMUOKDX-GHRIWEEISA-N
XLogP4.86
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.45
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-(cyclohexylidenemethyl)-N,N-dimethylnon-3-enamide?
The IUPAC name of (Z)-3-(cyclohexylidenemethyl)-N,N-dimethylnon-3-enamide (CID 135033978) is (Z)-3-(cyclohexylidenemethyl)-N,N-dimethylnon-3-enamide.
What is the SMILES notation for (Z)-3-(cyclohexylidenemethyl)-N,N-dimethylnon-3-enamide?
The canonical SMILES for (Z)-3-(cyclohexylidenemethyl)-N,N-dimethylnon-3-enamide is CCCCC/C=C(\C=C1CCCCC1)CC(=O)N(C)C.
What is the InChIKey of (Z)-3-(cyclohexylidenemethyl)-N,N-dimethylnon-3-enamide?
The InChIKey is BTOWANVZMUOKDX-GHRIWEEISA-N. The full InChI is InChI=1S/C18H31NO/c1-4-5-6-8-13-17(15-18(20)19(2)3)14-16-11-9-7-10-12-16/h13-14H,4-12,15H2,1-3H3/b17-13+.
What are the key properties of (Z)-3-(cyclohexylidenemethyl)-N,N-dimethylnon-3-enamide?
(Z)-3-(cyclohexylidenemethyl)-N,N-dimethylnon-3-enamide has a molecular weight of 277.45 g/mol, XLogP of 4.86, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(cyclohexylidenemethyl)-N,N-dimethylnon-3-enamide is sourced from PubChem (CID 135033978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).