3-(dimethylamino)propanamide

C5H12N2O — CID 11330431

IUPAC3-(dimethylamino)propanamide
SMILESCN(C)CCC(N)=O
InChIInChI=1S/C5H12N2O/c1-7(2)4-3-5(6)8/h3-4H2,1-2H3,(H2,6,8)
InChIKeyNIXQLMVKRBUSPF-UHFFFAOYSA-N
MW116.16 g/mol
LogP-0.58
Rot. Bonds3

About 3-(dimethylamino)propanamide

3-(dimethylamino)propanamide (PubChem CID 11330431) has the molecular formula C5H12N2O and a molecular weight of 116.16 g/mol. Its IUPAC name is 3-(dimethylamino)propanamide.

Molecular Properties

Compound Name3-(dimethylamino)propanamide
PubChem CID11330431
Molecular FormulaC5H12N2O
Molecular Weight116.16 g/mol
Exact Mass116.09
IUPAC Name3-(dimethylamino)propanamide
SMILESCN(C)CCC(N)=O
InChIInChI=1S/C5H12N2O/c1-7(2)4-3-5(6)8/h3-4H2,1-2H3,(H2,6,8)
InChIKeyNIXQLMVKRBUSPF-UHFFFAOYSA-N
XLogP-0.58
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.16
LogP ≤ 5-0.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(dimethylamino)propanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)propanamide?
The IUPAC name of 3-(dimethylamino)propanamide (CID 11330431) is 3-(dimethylamino)propanamide.
What is the SMILES notation for 3-(dimethylamino)propanamide?
The canonical SMILES for 3-(dimethylamino)propanamide is CN(C)CCC(N)=O.
What is the InChIKey of 3-(dimethylamino)propanamide?
The InChIKey is NIXQLMVKRBUSPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O/c1-7(2)4-3-5(6)8/h3-4H2,1-2H3,(H2,6,8).
What are the key properties of 3-(dimethylamino)propanamide?
3-(dimethylamino)propanamide has a molecular weight of 116.16 g/mol, XLogP of -0.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)propanamide is sourced from PubChem (CID 11330431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).