2-cyano-N-(2-methylcyclopropyl)-2-propylpentanamide

C13H22N2O — CID 62397735

IUPAC2-cyano-N-(2-methylcyclopropyl)-2-propylpentanamide
SMILESCCCC(C#N)(CCC)C(=O)NC1CC1C
InChIInChI=1S/C13H22N2O/c1-4-6-13(9-14,7-5-2)12(16)15-11-8-10(11)3/h10-11H,4-8H2,1-3H3,(H,15,16)
InChIKeyNUKWKETZJGKHMP-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.62
Rot. Bonds6

About 2-cyano-N-(2-methylcyclopropyl)-2-propylpentanamide

2-cyano-N-(2-methylcyclopropyl)-2-propylpentanamide (PubChem CID 62397735) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 2-cyano-N-(2-methylcyclopropyl)-2-propylpentanamide.

Molecular Properties

Compound Name2-cyano-N-(2-methylcyclopropyl)-2-propylpentanamide
PubChem CID62397735
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name2-cyano-N-(2-methylcyclopropyl)-2-propylpentanamide
SMILESCCCC(C#N)(CCC)C(=O)NC1CC1C
InChIInChI=1S/C13H22N2O/c1-4-6-13(9-14,7-5-2)12(16)15-11-8-10(11)3/h10-11H,4-8H2,1-3H3,(H,15,16)
InChIKeyNUKWKETZJGKHMP-UHFFFAOYSA-N
XLogP2.62
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(2-methylcyclopropyl)-2-propylpentanamide?
The IUPAC name of 2-cyano-N-(2-methylcyclopropyl)-2-propylpentanamide (CID 62397735) is 2-cyano-N-(2-methylcyclopropyl)-2-propylpentanamide.
What is the SMILES notation for 2-cyano-N-(2-methylcyclopropyl)-2-propylpentanamide?
The canonical SMILES for 2-cyano-N-(2-methylcyclopropyl)-2-propylpentanamide is CCCC(C#N)(CCC)C(=O)NC1CC1C.
What is the InChIKey of 2-cyano-N-(2-methylcyclopropyl)-2-propylpentanamide?
The InChIKey is NUKWKETZJGKHMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-4-6-13(9-14,7-5-2)12(16)15-11-8-10(11)3/h10-11H,4-8H2,1-3H3,(H,15,16).
What are the key properties of 2-cyano-N-(2-methylcyclopropyl)-2-propylpentanamide?
2-cyano-N-(2-methylcyclopropyl)-2-propylpentanamide has a molecular weight of 222.33 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(2-methylcyclopropyl)-2-propylpentanamide is sourced from PubChem (CID 62397735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).