3-(aminomethyl)-N-(2-cyanoethyl)-N-methylpentanamide

C10H19N3O — CID 81071138

IUPAC3-(aminomethyl)-N-(2-cyanoethyl)-N-methylpentanamide
SMILESCCC(CN)CC(=O)N(C)CCC#N
InChIInChI=1S/C10H19N3O/c1-3-9(8-12)7-10(14)13(2)6-4-5-11/h9H,3-4,6-8,12H2,1-2H3
InChIKeyYHEAYEAGABMHQD-UHFFFAOYSA-N
MW197.28 g/mol
LogP0.73
Rot. Bonds6

About 3-(aminomethyl)-N-(2-cyanoethyl)-N-methylpentanamide

3-(aminomethyl)-N-(2-cyanoethyl)-N-methylpentanamide (PubChem CID 81071138) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is 3-(aminomethyl)-N-(2-cyanoethyl)-N-methylpentanamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-(2-cyanoethyl)-N-methylpentanamide
PubChem CID81071138
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name3-(aminomethyl)-N-(2-cyanoethyl)-N-methylpentanamide
SMILESCCC(CN)CC(=O)N(C)CCC#N
InChIInChI=1S/C10H19N3O/c1-3-9(8-12)7-10(14)13(2)6-4-5-11/h9H,3-4,6-8,12H2,1-2H3
InChIKeyYHEAYEAGABMHQD-UHFFFAOYSA-N
XLogP0.73
TPSA70.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(aminomethyl)-N-(2-cyanoethyl)-N-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-(2-cyanoethyl)-N-methylpropanamide
CID 21036687
5-amino-N-(2-cyanoethyl)-N,4-dimethylpentanamide
CID 82017217
N-(2-cyanoethyl)-2-hydroxy-N-methylacetamide
CID 43289856
N-(2-cyanoethyl)-N-methyl-3-[methyl(pentan-3-yl)amino]propanamide
CID 43571057
3-(aminomethyl)-N-butan-2-yl-N-methylpentanamide
CID 81072118
N-(2-cyanoethyl)-2-[1-cyanopropan-2-yl(methyl)amino]-N-methylacetamide
CID 55219777
3-(aminomethyl)-N-methyl-N-(3-phenoxypropyl)pentanamide
CID 81087362
(2S)-2-amino-N-(2-cyanoethyl)-N,3-dimethylpentanamide
CID 61174046
3-(aminomethyl)-N-[2-(4-chlorophenoxy)ethyl]-N-methylpentanamide
CID 81075313
3-[3-ethylpentanoyl(methyl)amino]propanoic acid
CID 119362677
4-amino-N,N-bis(2-cyanoethyl)-3-methylbutanamide
CID 81087572
N-(2-cyanoethyl)-N-methyl-2-[methyl(1-methylsulfanylpropan-2-yl)amino]acetamide
CID 112692197

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-(2-cyanoethyl)-N-methylpentanamide?
The IUPAC name of 3-(aminomethyl)-N-(2-cyanoethyl)-N-methylpentanamide (CID 81071138) is 3-(aminomethyl)-N-(2-cyanoethyl)-N-methylpentanamide.
What is the SMILES notation for 3-(aminomethyl)-N-(2-cyanoethyl)-N-methylpentanamide?
The canonical SMILES for 3-(aminomethyl)-N-(2-cyanoethyl)-N-methylpentanamide is CCC(CN)CC(=O)N(C)CCC#N.
What is the InChIKey of 3-(aminomethyl)-N-(2-cyanoethyl)-N-methylpentanamide?
The InChIKey is YHEAYEAGABMHQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-3-9(8-12)7-10(14)13(2)6-4-5-11/h9H,3-4,6-8,12H2,1-2H3.
What are the key properties of 3-(aminomethyl)-N-(2-cyanoethyl)-N-methylpentanamide?
3-(aminomethyl)-N-(2-cyanoethyl)-N-methylpentanamide has a molecular weight of 197.28 g/mol, XLogP of 0.73, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-(2-cyanoethyl)-N-methylpentanamide is sourced from PubChem (CID 81071138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).