2-amino-N-(2-cyanoethyl)-N-(2-methylpropyl)propanamide

C10H19N3O — CID 60963440

IUPAC2-amino-N-(2-cyanoethyl)-N-(2-methylpropyl)propanamide
SMILESCC(C)CN(CCC#N)C(=O)C(C)N
InChIInChI=1S/C10H19N3O/c1-8(2)7-13(6-4-5-11)10(14)9(3)12/h8-9H,4,6-7,12H2,1-3H3
InChIKeySGUVXDWQENLMES-UHFFFAOYSA-N
MW197.28 g/mol
LogP0.73
Rot. Bonds5

About 2-amino-N-(2-cyanoethyl)-N-(2-methylpropyl)propanamide

2-amino-N-(2-cyanoethyl)-N-(2-methylpropyl)propanamide (PubChem CID 60963440) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is 2-amino-N-(2-cyanoethyl)-N-(2-methylpropyl)propanamide.

Molecular Properties

Compound Name2-amino-N-(2-cyanoethyl)-N-(2-methylpropyl)propanamide
PubChem CID60963440
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name2-amino-N-(2-cyanoethyl)-N-(2-methylpropyl)propanamide
SMILESCC(C)CN(CCC#N)C(=O)C(C)N
InChIInChI=1S/C10H19N3O/c1-8(2)7-13(6-4-5-11)10(14)9(3)12/h8-9H,4,6-7,12H2,1-3H3
InChIKeySGUVXDWQENLMES-UHFFFAOYSA-N
XLogP0.73
TPSA70.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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 2-amino-N-(2-cyanoethyl)-N-(2-methylpropyl)propanamide 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

(2R)-2-amino-N-(2-cyanoethyl)-N-(2-methylpropyl)propanamide
CID 78973558
(2S)-2-amino-N-(2-cyanoethyl)-3-methyl-N-(2-methylpropyl)butanamide
CID 61162671
(2S)-2-amino-N-(2-cyanoethyl)-N-ethylpropanamide
CID 61148414
(2R)-2-amino-N-(2-cyanoethyl)-3,3-dimethyl-N-(2-methylpropyl)butanamide
CID 103929355
(2S)-2-amino-N-(2-cyanoethyl)-3-methyl-N-(2-methylpropyl)pentanamide
CID 61174632
2-amino-N-(2-cyanoethyl)-N-(2-methylpropyl)butanediamide
CID 54873716
N-(2-cyanoethyl)-N-(2-methylpropyl)-2-sulfanylpropanamide
CID 107026876
2-amino-N-(2-cyanoethyl)-N-(2-methylpropyl)-4-methylsulfonylbutanamide
CID 54873679
2-amino-N,N-bis(2-methylpropyl)propanamide
CID 43588746
N-(2-cyanoethyl)-2-methyl-N-(2-methylpropyl)pentanamide
CID 60659959
(2R)-2-amino-N,N-bis(2-cyanoethyl)-4-methylpentanamide
CID 93376202
5-amino-N-(2-cyanoethyl)-N-(2-methylpropyl)hexanamide
CID 82852097

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-cyanoethyl)-N-(2-methylpropyl)propanamide?
The IUPAC name of 2-amino-N-(2-cyanoethyl)-N-(2-methylpropyl)propanamide (CID 60963440) is 2-amino-N-(2-cyanoethyl)-N-(2-methylpropyl)propanamide.
What is the SMILES notation for 2-amino-N-(2-cyanoethyl)-N-(2-methylpropyl)propanamide?
The canonical SMILES for 2-amino-N-(2-cyanoethyl)-N-(2-methylpropyl)propanamide is CC(C)CN(CCC#N)C(=O)C(C)N.
What is the InChIKey of 2-amino-N-(2-cyanoethyl)-N-(2-methylpropyl)propanamide?
The InChIKey is SGUVXDWQENLMES-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-8(2)7-13(6-4-5-11)10(14)9(3)12/h8-9H,4,6-7,12H2,1-3H3.
What are the key properties of 2-amino-N-(2-cyanoethyl)-N-(2-methylpropyl)propanamide?
2-amino-N-(2-cyanoethyl)-N-(2-methylpropyl)propanamide has a molecular weight of 197.28 g/mol, XLogP of 0.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-cyanoethyl)-N-(2-methylpropyl)propanamide is sourced from PubChem (CID 60963440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).