N-(3-cyano-1-bicyclo[1.1.1]pentanyl)-2-methylpentanamide

C12H18N2O — CID 155375848

IUPACN-(3-cyano-1-bicyclo[1.1.1]pentanyl)-2-methylpentanamide
SMILESCCCC(C)C(=O)NC12CC(C#N)(C1)C2
InChIInChI=1S/C12H18N2O/c1-3-4-9(2)10(15)14-12-5-11(6-12,7-12)8-13/h9H,3-7H2,1-2H3,(H,14,15)
InChIKeyGKAJPCUMGVQLDV-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.99
Rot. Bonds4

About N-(3-cyano-1-bicyclo[1.1.1]pentanyl)-2-methylpentanamide

N-(3-cyano-1-bicyclo[1.1.1]pentanyl)-2-methylpentanamide (PubChem CID 155375848) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is N-(3-cyano-1-bicyclo[1.1.1]pentanyl)-2-methylpentanamide.

Molecular Properties

Compound NameN-(3-cyano-1-bicyclo[1.1.1]pentanyl)-2-methylpentanamide
PubChem CID155375848
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC NameN-(3-cyano-1-bicyclo[1.1.1]pentanyl)-2-methylpentanamide
SMILESCCCC(C)C(=O)NC12CC(C#N)(C1)C2
InChIInChI=1S/C12H18N2O/c1-3-4-9(2)10(15)14-12-5-11(6-12,7-12)8-13/h9H,3-7H2,1-2H3,(H,14,15)
InChIKeyGKAJPCUMGVQLDV-UHFFFAOYSA-N
XLogP1.99
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(3-cyano-1-bicyclo[1.1.1]pentanyl)-2-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

N-(1-cyanopropan-2-yl)-2-methylpentanamide
CID 62094798
N-[1-(aminomethyl)cyclohexyl]-2-methylpentanamide
CID 63755495
2-methylpentanehydrazide
CID 43183484
2-methyl-N-propan-2-ylpentanamide
CID 4628268
3-(ethylamino)bicyclo[1.1.1]pentane-1-carbonitrile
CID 146339668
3-(2-methylpentanoylamino)oxolane-3-carboxylic acid
CID 64888051
3-cyano-N-(3-methylbutan-2-yl)bicyclo[1.1.1]pentane-1-carboxamide
CID 167136227
2-methyl-N-prop-2-ynylpentanamide
CID 60707067
2-methyl-N-(3-methyl-2-oxobutyl)pentanamide
CID 64996979
(2S)-N-[4-(cyanomethyl)phenyl]-2-methylpentanamide
CID 94187740
N-[3-(hydroxymethyl)cyclobutyl]-2-methylpentanamide
CID 165445060
CID 159174397
CID 159174397

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-1-bicyclo[1.1.1]pentanyl)-2-methylpentanamide?
The IUPAC name of N-(3-cyano-1-bicyclo[1.1.1]pentanyl)-2-methylpentanamide (CID 155375848) is N-(3-cyano-1-bicyclo[1.1.1]pentanyl)-2-methylpentanamide.
What is the SMILES notation for N-(3-cyano-1-bicyclo[1.1.1]pentanyl)-2-methylpentanamide?
The canonical SMILES for N-(3-cyano-1-bicyclo[1.1.1]pentanyl)-2-methylpentanamide is CCCC(C)C(=O)NC12CC(C#N)(C1)C2.
What is the InChIKey of N-(3-cyano-1-bicyclo[1.1.1]pentanyl)-2-methylpentanamide?
The InChIKey is GKAJPCUMGVQLDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-3-4-9(2)10(15)14-12-5-11(6-12,7-12)8-13/h9H,3-7H2,1-2H3,(H,14,15).
What are the key properties of N-(3-cyano-1-bicyclo[1.1.1]pentanyl)-2-methylpentanamide?
N-(3-cyano-1-bicyclo[1.1.1]pentanyl)-2-methylpentanamide has a molecular weight of 206.29 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-1-bicyclo[1.1.1]pentanyl)-2-methylpentanamide is sourced from PubChem (CID 155375848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).