2-(aminomethyl)propane-1,2,3-triamine

C4H14N4 — CID 55290717

IUPAC2-(aminomethyl)propane-1,2,3-triamine
SMILESNCC(N)(CN)CN
InChIInChI=1S/C4H14N4/c5-1-4(8,2-6)3-7/h1-3,5-8H2
InChIKeyKXJXVIUVSQVPEL-UHFFFAOYSA-N
MW118.18 g/mol
LogP-2.44
Rot. Bonds3

About 2-(aminomethyl)propane-1,2,3-triamine

2-(aminomethyl)propane-1,2,3-triamine (PubChem CID 55290717) has the molecular formula C4H14N4 and a molecular weight of 118.18 g/mol. Its IUPAC name is 2-(aminomethyl)propane-1,2,3-triamine.

Molecular Properties

Compound Name2-(aminomethyl)propane-1,2,3-triamine
PubChem CID55290717
Molecular FormulaC4H14N4
Molecular Weight118.18 g/mol
Exact Mass118.12
IUPAC Name2-(aminomethyl)propane-1,2,3-triamine
SMILESNCC(N)(CN)CN
InChIInChI=1S/C4H14N4/c5-1-4(8,2-6)3-7/h1-3,5-8H2
InChIKeyKXJXVIUVSQVPEL-UHFFFAOYSA-N
XLogP-2.44
TPSA104.08 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.18
LogP ≤ 5-2.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)propane-1,2,3-triamine?
The IUPAC name of 2-(aminomethyl)propane-1,2,3-triamine (CID 55290717) is 2-(aminomethyl)propane-1,2,3-triamine.
What is the SMILES notation for 2-(aminomethyl)propane-1,2,3-triamine?
The canonical SMILES for 2-(aminomethyl)propane-1,2,3-triamine is NCC(N)(CN)CN.
What is the InChIKey of 2-(aminomethyl)propane-1,2,3-triamine?
The InChIKey is KXJXVIUVSQVPEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H14N4/c5-1-4(8,2-6)3-7/h1-3,5-8H2.
What are the key properties of 2-(aminomethyl)propane-1,2,3-triamine?
2-(aminomethyl)propane-1,2,3-triamine has a molecular weight of 118.18 g/mol, XLogP of -2.44, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)propane-1,2,3-triamine is sourced from PubChem (CID 55290717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).