3-(aminomethylamino)propanamide

C4H11N3O — CID 123274483

IUPAC3-(aminomethylamino)propanamide
SMILESNCNCCC(N)=O
InChIInChI=1S/C4H11N3O/c5-3-7-2-1-4(6)8/h7H,1-3,5H2,(H2,6,8)
InChIKeyGAHOBDSPPARBER-UHFFFAOYSA-N
MW117.15 g/mol
LogP-1.63
Rot. Bonds4

About 3-(aminomethylamino)propanamide

3-(aminomethylamino)propanamide (PubChem CID 123274483) has the molecular formula C4H11N3O and a molecular weight of 117.15 g/mol. Its IUPAC name is 3-(aminomethylamino)propanamide.

Molecular Properties

Compound Name3-(aminomethylamino)propanamide
PubChem CID123274483
Molecular FormulaC4H11N3O
Molecular Weight117.15 g/mol
Exact Mass117.09
IUPAC Name3-(aminomethylamino)propanamide
SMILESNCNCCC(N)=O
InChIInChI=1S/C4H11N3O/c5-3-7-2-1-4(6)8/h7H,1-3,5H2,(H2,6,8)
InChIKeyGAHOBDSPPARBER-UHFFFAOYSA-N
XLogP-1.63
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.15
LogP ≤ 5-1.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 3-(aminomethylamino)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

3-[3-(3-aminopropylamino)propylamino]propanamide
CID 87496464
ethane;3-(ethylamino)propanamide
CID 156743022
3-(prop-2-ynylamino)propanamide
CID 43090029
2-[(3-amino-3-oxopropyl)amino]ethyl carbamate
CID 83211468
3-(5-hydroxypentylamino)propanamide
CID 62227149
3-[[2-(aminomethyl)-3-methylbutyl]amino]propanamide
CID 107441377
3-[(3-hydroxy-2,2-dimethylpropyl)amino]propanamide
CID 81414518
3-[(2-methylpropan-2-yl)oxymethylamino]propanamide
CID 130284943
3-[[2-(ethylamino)-2-oxoethyl]amino]propanamide
CID 43553568
3-(2-azidoethylamino)propanamide
CID 89151480
3-[(2,2-difluoro-3-hydroxypropyl)amino]propanamide
CID 106176150
3-(3-cyanopropylamino)propanamide
CID 43553561

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethylamino)propanamide?
The IUPAC name of 3-(aminomethylamino)propanamide (CID 123274483) is 3-(aminomethylamino)propanamide.
What is the SMILES notation for 3-(aminomethylamino)propanamide?
The canonical SMILES for 3-(aminomethylamino)propanamide is NCNCCC(N)=O.
What is the InChIKey of 3-(aminomethylamino)propanamide?
The InChIKey is GAHOBDSPPARBER-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11N3O/c5-3-7-2-1-4(6)8/h7H,1-3,5H2,(H2,6,8).
What are the key properties of 3-(aminomethylamino)propanamide?
3-(aminomethylamino)propanamide has a molecular weight of 117.15 g/mol, XLogP of -1.63, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethylamino)propanamide is sourced from PubChem (CID 123274483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).