3-amino-2-(aminomethyl)prop-2-enenitrile

C4H7N3 — CID 140565404

IUPAC3-amino-2-(aminomethyl)prop-2-enenitrile
SMILESN#CC(=CN)CN
InChIInChI=1S/C4H7N3/c5-1-4(2-6)3-7/h1H,2,5-6H2
InChIKeyMNKZHZNDLOVYPY-UHFFFAOYSA-N
MW97.12 g/mol
LogP-0.69
Rot. Bonds1

About 3-amino-2-(aminomethyl)prop-2-enenitrile

3-amino-2-(aminomethyl)prop-2-enenitrile (PubChem CID 140565404) has the molecular formula C4H7N3 and a molecular weight of 97.12 g/mol. Its IUPAC name is 3-amino-2-(aminomethyl)prop-2-enenitrile.

Molecular Properties

Compound Name3-amino-2-(aminomethyl)prop-2-enenitrile
PubChem CID140565404
Molecular FormulaC4H7N3
Molecular Weight97.12 g/mol
Exact Mass97.06
IUPAC Name3-amino-2-(aminomethyl)prop-2-enenitrile
SMILESN#CC(=CN)CN
InChIInChI=1S/C4H7N3/c5-1-4(2-6)3-7/h1H,2,5-6H2
InChIKeyMNKZHZNDLOVYPY-UHFFFAOYSA-N
XLogP-0.69
TPSA75.83 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50097.12
LogP ≤ 5-0.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}

Analyze 3-amino-2-(aminomethyl)prop-2-enenitrile 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-amino-2-(aminomethyl)prop-2-enenitrile?
The IUPAC name of 3-amino-2-(aminomethyl)prop-2-enenitrile (CID 140565404) is 3-amino-2-(aminomethyl)prop-2-enenitrile.
What is the SMILES notation for 3-amino-2-(aminomethyl)prop-2-enenitrile?
The canonical SMILES for 3-amino-2-(aminomethyl)prop-2-enenitrile is N#CC(=CN)CN.
What is the InChIKey of 3-amino-2-(aminomethyl)prop-2-enenitrile?
The InChIKey is MNKZHZNDLOVYPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N3/c5-1-4(2-6)3-7/h1H,2,5-6H2.
What are the key properties of 3-amino-2-(aminomethyl)prop-2-enenitrile?
3-amino-2-(aminomethyl)prop-2-enenitrile has a molecular weight of 97.12 g/mol, XLogP of -0.69, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(aminomethyl)prop-2-enenitrile is sourced from PubChem (CID 140565404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).