4-cyclopentyl-2-ethylidene-N,N,5-trimethylhexanamide

C16H29NO — CID 123723780

IUPAC4-cyclopentyl-2-ethylidene-N,N,5-trimethylhexanamide
SMILESCC=C(CC(C(C)C)C1CCCC1)C(=O)N(C)C
InChIInChI=1S/C16H29NO/c1-6-13(16(18)17(4)5)11-15(12(2)3)14-9-7-8-10-14/h6,12,14-15H,7-11H2,1-5H3
InChIKeyASECRGGFBAVHPR-UHFFFAOYSA-N
MW251.41 g/mol
LogP3.87
Rot. Bonds5

About 4-cyclopentyl-2-ethylidene-N,N,5-trimethylhexanamide

4-cyclopentyl-2-ethylidene-N,N,5-trimethylhexanamide (PubChem CID 123723780) has the molecular formula C16H29NO and a molecular weight of 251.41 g/mol. Its IUPAC name is 4-cyclopentyl-2-ethylidene-N,N,5-trimethylhexanamide.

Molecular Properties

Compound Name4-cyclopentyl-2-ethylidene-N,N,5-trimethylhexanamide
PubChem CID123723780
Molecular FormulaC16H29NO
Molecular Weight251.41 g/mol
Exact Mass251.22
IUPAC Name4-cyclopentyl-2-ethylidene-N,N,5-trimethylhexanamide
SMILESCC=C(CC(C(C)C)C1CCCC1)C(=O)N(C)C
InChIInChI=1S/C16H29NO/c1-6-13(16(18)17(4)5)11-15(12(2)3)14-9-7-8-10-14/h6,12,14-15H,7-11H2,1-5H3
InChIKeyASECRGGFBAVHPR-UHFFFAOYSA-N
XLogP3.87
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.41
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-cyclopentyl-3-methylbutan-1-ol
CID 23384800
4-amino-3-cyclopentylpentanoic acid
CID 66096453
(1-cyclopentyl-3-methylbutan-2-yl)cyclohexane
CID 143562846
(3R)-4-methyl-3-(3-oxocyclohexyl)pentanoic acid
CID 54072750
3-cyclohexyl-4-methylpentan-1-ol
CID 121406245
4-[1-cyclopentylethyl(methyl)amino]butanoic acid
CID 65068332
(2S)-2-cyclohexyl-3-methylbutan-1-amine
CID 96739435
2,5-dimethylhexan-3-ylcyclohexane
CID 90926992
2-amino-3-cyclohexyl-N,N-dimethylpropanamide
CID 83618462
3-amino-4-cyclopentyl-5-methylhexanoic acid
CID 83909854
2-[cyclopentyl(methyl)amino]-N,N-dimethylbut-2-enamide
CID 123846624
3-cycloheptyl-4-methylpentanenitrile
CID 67965057

Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyl-2-ethylidene-N,N,5-trimethylhexanamide?
The IUPAC name of 4-cyclopentyl-2-ethylidene-N,N,5-trimethylhexanamide (CID 123723780) is 4-cyclopentyl-2-ethylidene-N,N,5-trimethylhexanamide.
What is the SMILES notation for 4-cyclopentyl-2-ethylidene-N,N,5-trimethylhexanamide?
The canonical SMILES for 4-cyclopentyl-2-ethylidene-N,N,5-trimethylhexanamide is CC=C(CC(C(C)C)C1CCCC1)C(=O)N(C)C.
What is the InChIKey of 4-cyclopentyl-2-ethylidene-N,N,5-trimethylhexanamide?
The InChIKey is ASECRGGFBAVHPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO/c1-6-13(16(18)17(4)5)11-15(12(2)3)14-9-7-8-10-14/h6,12,14-15H,7-11H2,1-5H3.
What are the key properties of 4-cyclopentyl-2-ethylidene-N,N,5-trimethylhexanamide?
4-cyclopentyl-2-ethylidene-N,N,5-trimethylhexanamide has a molecular weight of 251.41 g/mol, XLogP of 3.87, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyl-2-ethylidene-N,N,5-trimethylhexanamide is sourced from PubChem (CID 123723780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).