3-cyano-N-(2-methylpropyl)butanamide

C9H16N2O — CID 82111297

IUPAC3-cyano-N-(2-methylpropyl)butanamide
SMILESCC(C)CNC(=O)CC(C)C#N
InChIInChI=1S/C9H16N2O/c1-7(2)6-11-9(12)4-8(3)5-10/h7-8H,4,6H2,1-3H3,(H,11,12)
InChIKeyNPUJTHAKQDNJFK-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.31
Rot. Bonds4

About 3-cyano-N-(2-methylpropyl)butanamide

3-cyano-N-(2-methylpropyl)butanamide (PubChem CID 82111297) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 3-cyano-N-(2-methylpropyl)butanamide.

Molecular Properties

Compound Name3-cyano-N-(2-methylpropyl)butanamide
PubChem CID82111297
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name3-cyano-N-(2-methylpropyl)butanamide
SMILESCC(C)CNC(=O)CC(C)C#N
InChIInChI=1S/C9H16N2O/c1-7(2)6-11-9(12)4-8(3)5-10/h7-8H,4,6H2,1-3H3,(H,11,12)
InChIKeyNPUJTHAKQDNJFK-UHFFFAOYSA-N
XLogP1.31
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Butanamide, N-(2-methylpropyl)-
CID 346250
N-butan-2-yl-3-methylbutanamide
CID 234387
N-(3-Methylbutyl)propanamide
CID 5152799
Butanamide, 3-methyl-N-propyl
CID 528603
Isobutyramide, N-(3-methylbutyl)-
CID 4083229
Butanamide, N-butyl-2-methyl-4-((1-oxobutyl)amino)-
CID 3067788
Butanamide, N-(4-(butylamino)-4-oxobutyl)-3-methyl-
CID 3067801
Butanamide, 3-methyl-N-(4-oxo-4-(propylamino)butyl)-
CID 3067802
Butanamide, N-butyl-4-((2-methyl-1-oxopropyl)amino)-
CID 3067805
2-cyano-N-(2-methylpropyl)acetamide
CID 4586567
N-(1-cyano-3-methylbutyl)-4-methylpentanamide
CID 53583750
N-isovaleroylisoamylamine
CID 3569815

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-(2-methylpropyl)butanamide?
The IUPAC name of 3-cyano-N-(2-methylpropyl)butanamide (CID 82111297) is 3-cyano-N-(2-methylpropyl)butanamide.
What is the SMILES notation for 3-cyano-N-(2-methylpropyl)butanamide?
The canonical SMILES for 3-cyano-N-(2-methylpropyl)butanamide is CC(C)CNC(=O)CC(C)C#N.
What is the InChIKey of 3-cyano-N-(2-methylpropyl)butanamide?
The InChIKey is NPUJTHAKQDNJFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-7(2)6-11-9(12)4-8(3)5-10/h7-8H,4,6H2,1-3H3,(H,11,12).
What are the key properties of 3-cyano-N-(2-methylpropyl)butanamide?
3-cyano-N-(2-methylpropyl)butanamide has a molecular weight of 168.24 g/mol, XLogP of 1.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-(2-methylpropyl)butanamide is sourced from PubChem (CID 82111297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).