2-(cyclohex-3-en-1-ylmethylamino)-N,4-dimethylpentanamide

C14H26N2O — CID 43750476

IUPAC2-(cyclohex-3-en-1-ylmethylamino)-N,4-dimethylpentanamide
SMILESCNC(=O)C(CC(C)C)NCC1CC=CCC1
InChIInChI=1S/C14H26N2O/c1-11(2)9-13(14(17)15-3)16-10-12-7-5-4-6-8-12/h4-5,11-13,16H,6-10H2,1-3H3,(H,15,17)
InChIKeyFODFKKYZQRTZLJ-UHFFFAOYSA-N
MW238.38 g/mol
LogP2.09
Rot. Bonds6

About 2-(cyclohex-3-en-1-ylmethylamino)-N,4-dimethylpentanamide

2-(cyclohex-3-en-1-ylmethylamino)-N,4-dimethylpentanamide (PubChem CID 43750476) has the molecular formula C14H26N2O and a molecular weight of 238.38 g/mol. Its IUPAC name is 2-(cyclohex-3-en-1-ylmethylamino)-N,4-dimethylpentanamide.

Molecular Properties

Compound Name2-(cyclohex-3-en-1-ylmethylamino)-N,4-dimethylpentanamide
PubChem CID43750476
Molecular FormulaC14H26N2O
Molecular Weight238.38 g/mol
Exact Mass238.20
IUPAC Name2-(cyclohex-3-en-1-ylmethylamino)-N,4-dimethylpentanamide
SMILESCNC(=O)C(CC(C)C)NCC1CC=CCC1
InChIInChI=1S/C14H26N2O/c1-11(2)9-13(14(17)15-3)16-10-12-7-5-4-6-8-12/h4-5,11-13,16H,6-10H2,1-3H3,(H,15,17)
InChIKeyFODFKKYZQRTZLJ-UHFFFAOYSA-N
XLogP2.09
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.38
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-(cyclohex-3-en-1-ylmethylamino)-4-methylpentanoate
CID 43688891
(2R)-2-(cyclohex-3-en-1-ylmethylamino)-N-methylpropanamide
CID 103838457
N,4-dimethyl-2-(oxan-4-ylmethylamino)pentanamide
CID 55065982
2-(cyclohex-3-en-1-ylmethylamino)propanoic acid
CID 61499571
2-(cyclohex-3-en-1-ylmethylamino)pentanoic acid
CID 83041207
2-(cyclohex-3-en-1-ylmethylamino)-N-(2,2,2-trifluoroethyl)propanamide
CID 115587189
1-(cyclohex-3-en-1-ylmethyl)-3-(1-hydroxy-4-methylpentan-2-yl)urea
CID 71915662
2-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-N,4-dimethylpentanamide
CID 43792150
5-amino-N-(cyclohex-3-en-1-ylmethyl)-2-methylpentanamide
CID 104684940
N-(cyclohex-3-en-1-ylmethyl)-2,2-difluoroacetamide
CID 103515679
propan-2-yl N-(cyclohex-3-en-1-ylmethyl)carbamate
CID 116655281
(4R)-4-[[(1R)-cyclohex-3-en-1-yl]methylamino]pentan-1-ol
CID 97051708

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohex-3-en-1-ylmethylamino)-N,4-dimethylpentanamide?
The IUPAC name of 2-(cyclohex-3-en-1-ylmethylamino)-N,4-dimethylpentanamide (CID 43750476) is 2-(cyclohex-3-en-1-ylmethylamino)-N,4-dimethylpentanamide.
What is the SMILES notation for 2-(cyclohex-3-en-1-ylmethylamino)-N,4-dimethylpentanamide?
The canonical SMILES for 2-(cyclohex-3-en-1-ylmethylamino)-N,4-dimethylpentanamide is CNC(=O)C(CC(C)C)NCC1CC=CCC1.
What is the InChIKey of 2-(cyclohex-3-en-1-ylmethylamino)-N,4-dimethylpentanamide?
The InChIKey is FODFKKYZQRTZLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-11(2)9-13(14(17)15-3)16-10-12-7-5-4-6-8-12/h4-5,11-13,16H,6-10H2,1-3H3,(H,15,17).
What are the key properties of 2-(cyclohex-3-en-1-ylmethylamino)-N,4-dimethylpentanamide?
2-(cyclohex-3-en-1-ylmethylamino)-N,4-dimethylpentanamide has a molecular weight of 238.38 g/mol, XLogP of 2.09, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohex-3-en-1-ylmethylamino)-N,4-dimethylpentanamide is sourced from PubChem (CID 43750476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).