3-amino-N,N-bis(2-cyanoethyl)propanamide

C9H14N4O — CID 60953472

IUPAC3-amino-N,N-bis(2-cyanoethyl)propanamide
SMILESN#CCCN(CCC#N)C(=O)CCN
InChIInChI=1S/C9H14N4O/c10-4-1-7-13(8-2-5-11)9(14)3-6-12/h1-3,6-8,12H2
InChIKeySZDSJAQAGXVREY-UHFFFAOYSA-N
MW194.24 g/mol
LogP-0.01
Rot. Bonds6

About 3-amino-N,N-bis(2-cyanoethyl)propanamide

3-amino-N,N-bis(2-cyanoethyl)propanamide (PubChem CID 60953472) has the molecular formula C9H14N4O and a molecular weight of 194.24 g/mol. Its IUPAC name is 3-amino-N,N-bis(2-cyanoethyl)propanamide.

Molecular Properties

Compound Name3-amino-N,N-bis(2-cyanoethyl)propanamide
PubChem CID60953472
Molecular FormulaC9H14N4O
Molecular Weight194.24 g/mol
Exact Mass194.12
IUPAC Name3-amino-N,N-bis(2-cyanoethyl)propanamide
SMILESN#CCCN(CCC#N)C(=O)CCN
InChIInChI=1S/C9H14N4O/c10-4-1-7-13(8-2-5-11)9(14)3-6-12/h1-3,6-8,12H2
InChIKeySZDSJAQAGXVREY-UHFFFAOYSA-N
XLogP-0.01
TPSA93.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-amino-N,N-bis(2-cyanoethyl)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

N,N,N',N'-tetrakis(2-cyanoethyl)butanediamide
CID 15084880
N,N-bis(2-cyanoethyl)dodecanamide
CID 3396127
4-amino-N,N-bis(2-cyanoethyl)-3-methylbutanamide
CID 81087572
3-(2-aminophenoxy)-N,N-bis(2-cyanoethyl)propanamide
CID 61116679
4-amino-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)butanamide
CID 54874085
2-(2-aminophenyl)-N,N-bis(2-cyanoethyl)acetamide
CID 61114789
2-bromo-N-(2-cyanoethyl)-N-(2-methoxyethyl)acetamide
CID 63681268
N-(2-cyanoethyl)-N-ethyl-3-methoxypropanamide
CID 62589868
N,N-bis(2-cyanoethyl)-2-(dipropylamino)acetamide
CID 21354456
N-(2-cyanoethyl)-N-(2-methoxyethyl)-4,4-dimethylpentanamide
CID 113239763
N-(2-cyanoethyl)-N-ethylheptanamide
CID 115610951
3-[[2-[bis(2-cyanoethyl)amino]-2-oxoethyl]amino]propanoic acid
CID 43466426

Frequently Asked Questions

What is the IUPAC name of 3-amino-N,N-bis(2-cyanoethyl)propanamide?
The IUPAC name of 3-amino-N,N-bis(2-cyanoethyl)propanamide (CID 60953472) is 3-amino-N,N-bis(2-cyanoethyl)propanamide.
What is the SMILES notation for 3-amino-N,N-bis(2-cyanoethyl)propanamide?
The canonical SMILES for 3-amino-N,N-bis(2-cyanoethyl)propanamide is N#CCCN(CCC#N)C(=O)CCN.
What is the InChIKey of 3-amino-N,N-bis(2-cyanoethyl)propanamide?
The InChIKey is SZDSJAQAGXVREY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O/c10-4-1-7-13(8-2-5-11)9(14)3-6-12/h1-3,6-8,12H2.
What are the key properties of 3-amino-N,N-bis(2-cyanoethyl)propanamide?
3-amino-N,N-bis(2-cyanoethyl)propanamide has a molecular weight of 194.24 g/mol, XLogP of -0.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N,N-bis(2-cyanoethyl)propanamide is sourced from PubChem (CID 60953472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).