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

C4H13N3 — CID 10313091

IUPAC2-(aminomethyl)propane-1,3-diamine
SMILESNCC(CN)CN
InChIInChI=1S/C4H13N3/c5-1-4(2-6)3-7/h4H,1-3,5-7H2
InChIKeyXXZJETFEIRYFCD-UHFFFAOYSA-N
MW103.17 g/mol
LogP-1.52
Rot. Bonds3

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

2-(aminomethyl)propane-1,3-diamine (PubChem CID 10313091) has the molecular formula C4H13N3 and a molecular weight of 103.17 g/mol. Its IUPAC name is 2-(aminomethyl)propane-1,3-diamine.

Molecular Properties

Compound Name2-(aminomethyl)propane-1,3-diamine
PubChem CID10313091
Molecular FormulaC4H13N3
Molecular Weight103.17 g/mol
Exact Mass103.11
IUPAC Name2-(aminomethyl)propane-1,3-diamine
SMILESNCC(CN)CN
InChIInChI=1S/C4H13N3/c5-1-4(2-6)3-7/h4H,1-3,5-7H2
InChIKeyXXZJETFEIRYFCD-UHFFFAOYSA-N
XLogP-1.52
TPSA78.06 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 ≤ 5-1.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)propane-1,3-diamine?
The IUPAC name of 2-(aminomethyl)propane-1,3-diamine (CID 10313091) is 2-(aminomethyl)propane-1,3-diamine.
What is the SMILES notation for 2-(aminomethyl)propane-1,3-diamine?
The canonical SMILES for 2-(aminomethyl)propane-1,3-diamine is NCC(CN)CN.
What is the InChIKey of 2-(aminomethyl)propane-1,3-diamine?
The InChIKey is XXZJETFEIRYFCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H13N3/c5-1-4(2-6)3-7/h4H,1-3,5-7H2.
What are the key properties of 2-(aminomethyl)propane-1,3-diamine?
2-(aminomethyl)propane-1,3-diamine has a molecular weight of 103.17 g/mol, XLogP of -1.52, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)propane-1,3-diamine is sourced from PubChem (CID 10313091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).