2,2-bis(aminomethyl)propane-1,3-diamine

C5H16N4 — CID 3017969

IUPAC2,2-bis(aminomethyl)propane-1,3-diamine
SMILESNCC(CN)(CN)CN
InChIInChI=1S/C5H16N4/c6-1-5(2-7,3-8)4-9/h1-4,6-9H2
InChIKeyVVJIVFKAROPUOS-UHFFFAOYSA-N
MW132.21 g/mol
LogP-2.19
Rot. Bonds4

About 2,2-bis(aminomethyl)propane-1,3-diamine

2,2-bis(aminomethyl)propane-1,3-diamine (PubChem CID 3017969) has the molecular formula C5H16N4 and a molecular weight of 132.21 g/mol. Its IUPAC name is 2,2-bis(aminomethyl)propane-1,3-diamine.

Molecular Properties

Compound Name2,2-bis(aminomethyl)propane-1,3-diamine
PubChem CID3017969
Molecular FormulaC5H16N4
Molecular Weight132.21 g/mol
Exact Mass132.14
IUPAC Name2,2-bis(aminomethyl)propane-1,3-diamine
SMILESNCC(CN)(CN)CN
InChIInChI=1S/C5H16N4/c6-1-5(2-7,3-8)4-9/h1-4,6-9H2
InChIKeyVVJIVFKAROPUOS-UHFFFAOYSA-N
XLogP-2.19
TPSA104.08 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.21
LogP ≤ 5-2.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 2,2-bis(aminomethyl)propane-1,3-diamine 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 2,2-bis(aminomethyl)propane-1,3-diamine?
The IUPAC name of 2,2-bis(aminomethyl)propane-1,3-diamine (CID 3017969) is 2,2-bis(aminomethyl)propane-1,3-diamine.
What is the SMILES notation for 2,2-bis(aminomethyl)propane-1,3-diamine?
The canonical SMILES for 2,2-bis(aminomethyl)propane-1,3-diamine is NCC(CN)(CN)CN.
What is the InChIKey of 2,2-bis(aminomethyl)propane-1,3-diamine?
The InChIKey is VVJIVFKAROPUOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H16N4/c6-1-5(2-7,3-8)4-9/h1-4,6-9H2.
What are the key properties of 2,2-bis(aminomethyl)propane-1,3-diamine?
2,2-bis(aminomethyl)propane-1,3-diamine has a molecular weight of 132.21 g/mol, XLogP of -2.19, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(aminomethyl)propane-1,3-diamine is sourced from PubChem (CID 3017969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).