N-[(1R)-1-cyano-3-methylbutyl]-4-methylpentanamide

C12H22N2O — CID 95302946

IUPACN-[(1R)-1-cyano-3-methylbutyl]-4-methylpentanamide
SMILESCC(C)CCC(=O)N[C@@H](C#N)CC(C)C
InChIInChI=1S/C12H22N2O/c1-9(2)5-6-12(15)14-11(8-13)7-10(3)4/h9-11H,5-7H2,1-4H3,(H,14,15)/t11-/m1/s1
InChIKeyOEFNSWUQYVVEII-LLVKDONJSA-N
MW210.32 g/mol
LogP2.48
Rot. Bonds6

About N-[(1R)-1-cyano-3-methylbutyl]-4-methylpentanamide

N-[(1R)-1-cyano-3-methylbutyl]-4-methylpentanamide (PubChem CID 95302946) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is N-[(1R)-1-cyano-3-methylbutyl]-4-methylpentanamide.

Molecular Properties

Compound NameN-[(1R)-1-cyano-3-methylbutyl]-4-methylpentanamide
PubChem CID95302946
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC NameN-[(1R)-1-cyano-3-methylbutyl]-4-methylpentanamide
SMILESCC(C)CCC(=O)N[C@@H](C#N)CC(C)C
InChIInChI=1S/C12H22N2O/c1-9(2)5-6-12(15)14-11(8-13)7-10(3)4/h9-11H,5-7H2,1-4H3,(H,14,15)/t11-/m1/s1
InChIKeyOEFNSWUQYVVEII-LLVKDONJSA-N
XLogP2.48
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(1R)-1-cyano-3-methylbutyl]-4-methylpentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Valeramide, N-isopropyl-2-propyl-
CID 200920
2-Amino-N-(1-cyanoethyl)-4-methylpentanimidic acid
CID 199849
N-[3-[(1-cyano-3-methylbutyl)amino]-3-oxopropyl]-2,2-dimethylpropanamide
CID 53564117
N-(1-cyano-3-methylbutyl)-4-methylpentanamide
CID 53583750
N1-acetyl-N7-4''-methyl-pentoyl cadaverine
CID 139591680
(2S)-2-amino-N-[2-(dimethylamino)ethyl]-4-methylpentanamide
CID 22690995
(2S)-2-Amino-4-methyl-N-(3-methylbutyl)pentanamide
CID 10917115
N-isopentyl-4-methylpentanamide
CID 20442825
Leucine n-propylamide
CID 22690985
2(s)-Amino-4-methylpentanoic acid cyanomethylamide
CID 22893094
d-Leucine isopropylamide
CID 28183866
2-ethyl-N-propan-2-ylpentanamide
CID 91156539

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-cyano-3-methylbutyl]-4-methylpentanamide?
The IUPAC name of N-[(1R)-1-cyano-3-methylbutyl]-4-methylpentanamide (CID 95302946) is N-[(1R)-1-cyano-3-methylbutyl]-4-methylpentanamide.
What is the SMILES notation for N-[(1R)-1-cyano-3-methylbutyl]-4-methylpentanamide?
The canonical SMILES for N-[(1R)-1-cyano-3-methylbutyl]-4-methylpentanamide is CC(C)CCC(=O)N[C@@H](C#N)CC(C)C.
What is the InChIKey of N-[(1R)-1-cyano-3-methylbutyl]-4-methylpentanamide?
The InChIKey is OEFNSWUQYVVEII-LLVKDONJSA-N. The full InChI is InChI=1S/C12H22N2O/c1-9(2)5-6-12(15)14-11(8-13)7-10(3)4/h9-11H,5-7H2,1-4H3,(H,14,15)/t11-/m1/s1.
What are the key properties of N-[(1R)-1-cyano-3-methylbutyl]-4-methylpentanamide?
N-[(1R)-1-cyano-3-methylbutyl]-4-methylpentanamide has a molecular weight of 210.32 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-cyano-3-methylbutyl]-4-methylpentanamide is sourced from PubChem (CID 95302946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).