2-N-methylpropane-1,2,3-triamine

C4H13N3 — CID 22619064

IUPAC2-N-methylpropane-1,2,3-triamine
SMILESCNC(CN)CN
InChIInChI=1S/C4H13N3/c1-7-4(2-5)3-6/h4,7H,2-3,5-6H2,1H3
InChIKeyHHYMYDOVIYPHEW-UHFFFAOYSA-N
MW103.17 g/mol
LogP-1.51
Rot. Bonds3

About 2-N-methylpropane-1,2,3-triamine

2-N-methylpropane-1,2,3-triamine (PubChem CID 22619064) has the molecular formula C4H13N3 and a molecular weight of 103.17 g/mol. Its IUPAC name is 2-N-methylpropane-1,2,3-triamine.

Molecular Properties

Compound Name2-N-methylpropane-1,2,3-triamine
PubChem CID22619064
Molecular FormulaC4H13N3
Molecular Weight103.17 g/mol
Exact Mass103.11
IUPAC Name2-N-methylpropane-1,2,3-triamine
SMILESCNC(CN)CN
InChIInChI=1S/C4H13N3/c1-7-4(2-5)3-6/h4,7H,2-3,5-6H2,1H3
InChIKeyHHYMYDOVIYPHEW-UHFFFAOYSA-N
XLogP-1.51
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500103.17
LogP ≤ 5-1.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-N-methylpropane-1,2,3-triamine 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 2-N-methylpropane-1,2,3-triamine?
The IUPAC name of 2-N-methylpropane-1,2,3-triamine (CID 22619064) is 2-N-methylpropane-1,2,3-triamine.
What is the SMILES notation for 2-N-methylpropane-1,2,3-triamine?
The canonical SMILES for 2-N-methylpropane-1,2,3-triamine is CNC(CN)CN.
What is the InChIKey of 2-N-methylpropane-1,2,3-triamine?
The InChIKey is HHYMYDOVIYPHEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H13N3/c1-7-4(2-5)3-6/h4,7H,2-3,5-6H2,1H3.
What are the key properties of 2-N-methylpropane-1,2,3-triamine?
2-N-methylpropane-1,2,3-triamine has a molecular weight of 103.17 g/mol, XLogP of -1.51, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methylpropane-1,2,3-triamine is sourced from PubChem (CID 22619064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).