2-cyano-N-hex-1-yn-3-yl-2-propylpentanamide

C15H24N2O — CID 114161366

IUPAC2-cyano-N-hex-1-yn-3-yl-2-propylpentanamide
SMILESC#CC(CCC)NC(=O)C(C#N)(CCC)CCC
InChIInChI=1S/C15H24N2O/c1-5-9-13(8-4)17-14(18)15(12-16,10-6-2)11-7-3/h4,13H,5-7,9-11H2,1-3H3,(H,17,18)
InChIKeyQMHQSDPWSQNMLW-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.01
Rot. Bonds8

About 2-cyano-N-hex-1-yn-3-yl-2-propylpentanamide

2-cyano-N-hex-1-yn-3-yl-2-propylpentanamide (PubChem CID 114161366) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 2-cyano-N-hex-1-yn-3-yl-2-propylpentanamide.

Molecular Properties

Compound Name2-cyano-N-hex-1-yn-3-yl-2-propylpentanamide
PubChem CID114161366
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name2-cyano-N-hex-1-yn-3-yl-2-propylpentanamide
SMILESC#CC(CCC)NC(=O)C(C#N)(CCC)CCC
InChIInChI=1S/C15H24N2O/c1-5-9-13(8-4)17-14(18)15(12-16,10-6-2)11-7-3/h4,13H,5-7,9-11H2,1-3H3,(H,17,18)
InChIKeyQMHQSDPWSQNMLW-UHFFFAOYSA-N
XLogP3.01
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-cyano-N-hex-1-yn-3-yl-2-methylpropanamide
CID 103529089
methyl 2-[(2-cyano-2-propylpentanoyl)amino]-3-hydroxypropanoate
CID 107856877
2-(hex-1-yn-3-ylamino)-2-oxoacetic acid
CID 106232888
2-cyano-N-[2-(2-hydroxyethyl)pentyl]-2-propylpentanamide
CID 106116834
2-cyano-N-(1-hydroxy-3-methoxypropan-2-yl)-2-propylpentanamide
CID 106188923
2-cyano-N',N'-dimethyl-2-propylpentanehydrazide
CID 83016357
N-(1-cyanobutyl)-2,2-dimethylpropanamide
CID 61119497
2-cyano-N-(1-cyclohexylethyl)-2-propylpentanamide
CID 62405447
4-tert-butyl-N-hex-1-yn-3-ylbenzamide
CID 106228291
N-hex-1-yn-3-yl-2-sulfanylpropanamide
CID 106229841
2-(4-aminophenyl)-N-hex-1-yn-3-yl-2-methylpropanamide
CID 106230555
2-cyano-N-[(1S)-2-hydroxy-1-phenylethyl]-2-propylpentanamide
CID 107863380

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-hex-1-yn-3-yl-2-propylpentanamide?
The IUPAC name of 2-cyano-N-hex-1-yn-3-yl-2-propylpentanamide (CID 114161366) is 2-cyano-N-hex-1-yn-3-yl-2-propylpentanamide.
What is the SMILES notation for 2-cyano-N-hex-1-yn-3-yl-2-propylpentanamide?
The canonical SMILES for 2-cyano-N-hex-1-yn-3-yl-2-propylpentanamide is C#CC(CCC)NC(=O)C(C#N)(CCC)CCC.
What is the InChIKey of 2-cyano-N-hex-1-yn-3-yl-2-propylpentanamide?
The InChIKey is QMHQSDPWSQNMLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-5-9-13(8-4)17-14(18)15(12-16,10-6-2)11-7-3/h4,13H,5-7,9-11H2,1-3H3,(H,17,18).
What are the key properties of 2-cyano-N-hex-1-yn-3-yl-2-propylpentanamide?
2-cyano-N-hex-1-yn-3-yl-2-propylpentanamide has a molecular weight of 248.37 g/mol, XLogP of 3.01, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-hex-1-yn-3-yl-2-propylpentanamide is sourced from PubChem (CID 114161366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).