(2S)-6-cyclopentyl-N,N-dimethyl-2-propan-2-ylhex-4-enamide

C16H29NO — CID 54149677

IUPAC(2S)-6-cyclopentyl-N,N-dimethyl-2-propan-2-ylhex-4-enamide
SMILESCC(C)[C@H](CC=CCC1CCCC1)C(=O)N(C)C
InChIInChI=1S/C16H29NO/c1-13(2)15(16(18)17(3)4)12-8-7-11-14-9-5-6-10-14/h7-8,13-15H,5-6,9-12H2,1-4H3/t15-/m0/s1
InChIKeyOGWFIVFEDFABAC-HNNXBMFYSA-N
MW251.41 g/mol
LogP3.87
Rot. Bonds6

About (2S)-6-cyclopentyl-N,N-dimethyl-2-propan-2-ylhex-4-enamide

(2S)-6-cyclopentyl-N,N-dimethyl-2-propan-2-ylhex-4-enamide (PubChem CID 54149677) has the molecular formula C16H29NO and a molecular weight of 251.41 g/mol. Its IUPAC name is (2S)-6-cyclopentyl-N,N-dimethyl-2-propan-2-ylhex-4-enamide.

Molecular Properties

Compound Name(2S)-6-cyclopentyl-N,N-dimethyl-2-propan-2-ylhex-4-enamide
PubChem CID54149677
Molecular FormulaC16H29NO
Molecular Weight251.41 g/mol
Exact Mass251.22
IUPAC Name(2S)-6-cyclopentyl-N,N-dimethyl-2-propan-2-ylhex-4-enamide
SMILESCC(C)[C@H](CC=CCC1CCCC1)C(=O)N(C)C
InChIInChI=1S/C16H29NO/c1-13(2)15(16(18)17(3)4)12-8-7-11-14-9-5-6-10-14/h7-8,13-15H,5-6,9-12H2,1-4H3/t15-/m0/s1
InChIKeyOGWFIVFEDFABAC-HNNXBMFYSA-N
XLogP3.87
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(E)-6-cycloheptyl-2-propan-2-ylhex-4-enoic acid
CID 19868255
(2S)-5-chloro-N,N-dimethyl-2-propan-2-ylpent-4-enamide
CID 57377208
5,6-dimethylhept-2-enylcyclohexane
CID 57295731
2-amino-3-cyclohexyl-N,N-dimethylpropanamide
CID 83618462
(2S)-2-(cyclohexylmethyl)-3-methylbutanoic acid
CID 22877220
[(Z)-pent-2-enyl]cyclohexane
CID 142389196
[(2S)-3-cyclohexyl-1-(dimethylamino)-1-oxopropan-2-yl] formate
CID 141112494
4-[cyclopentylmethyl(methyl)amino]-2,3-dimethyl-4-oxobutanoic acid
CID 103498428
2-(cyclohexylmethylamino)-N,N,4-trimethylpentanamide
CID 43674999
(E,2S,7S)-2,7-di(propan-2-yl)oct-4-enediamide
CID 88590733
(E)-4-cyclohexyl-N-methylbut-2-enamide
CID 162387728
4-cyclohexylbut-2-enamide
CID 123964828

Frequently Asked Questions

What is the IUPAC name of (2S)-6-cyclopentyl-N,N-dimethyl-2-propan-2-ylhex-4-enamide?
The IUPAC name of (2S)-6-cyclopentyl-N,N-dimethyl-2-propan-2-ylhex-4-enamide (CID 54149677) is (2S)-6-cyclopentyl-N,N-dimethyl-2-propan-2-ylhex-4-enamide.
What is the SMILES notation for (2S)-6-cyclopentyl-N,N-dimethyl-2-propan-2-ylhex-4-enamide?
The canonical SMILES for (2S)-6-cyclopentyl-N,N-dimethyl-2-propan-2-ylhex-4-enamide is CC(C)[C@H](CC=CCC1CCCC1)C(=O)N(C)C.
What is the InChIKey of (2S)-6-cyclopentyl-N,N-dimethyl-2-propan-2-ylhex-4-enamide?
The InChIKey is OGWFIVFEDFABAC-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H29NO/c1-13(2)15(16(18)17(3)4)12-8-7-11-14-9-5-6-10-14/h7-8,13-15H,5-6,9-12H2,1-4H3/t15-/m0/s1.
What are the key properties of (2S)-6-cyclopentyl-N,N-dimethyl-2-propan-2-ylhex-4-enamide?
(2S)-6-cyclopentyl-N,N-dimethyl-2-propan-2-ylhex-4-enamide has a molecular weight of 251.41 g/mol, XLogP of 3.87, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-6-cyclopentyl-N,N-dimethyl-2-propan-2-ylhex-4-enamide is sourced from PubChem (CID 54149677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).