propane-1,3-diamine

C3H10N2 — CID 428

IUPACpropane-1,3-diamine
SMILESNCCCN
InChIInChI=1S/C3H10N2/c4-2-1-3-5/h1-5H2
InChIKeyXFNJVJPLKCPIBV-UHFFFAOYSA-N
MW74.13 g/mol
LogP-0.71
Rot. Bonds2

About propane-1,3-diamine

propane-1,3-diamine (PubChem CID 428) has the molecular formula C3H10N2 and a molecular weight of 74.13 g/mol. Its IUPAC name is propane-1,3-diamine.

Molecular Properties

Compound Namepropane-1,3-diamine
PubChem CID428
Molecular FormulaC3H10N2
Molecular Weight74.13 g/mol
Exact Mass74.08
IUPAC Namepropane-1,3-diamine
SMILESNCCCN
InChIInChI=1S/C3H10N2/c4-2-1-3-5/h1-5H2
InChIKeyXFNJVJPLKCPIBV-UHFFFAOYSA-N
XLogP-0.71
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50074.13
LogP ≤ 5-0.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Putrescine
CID 1045
1,4-Butanediammonium
CID 3452892
Trimethylenediaminium
CID 4030255
1,3-Propanediamine dihydrochloride
CID 165887
1,1-Propanediamine
CID 14954072
1,2,3-Triaminopropane
CID 432418
1,3-Propanediamine, 2-(aminomethyl)-
CID 10313091
1,3-Diaminopropane Dihydrobromide
CID 88779942
1,3-Diaminopropane Dihydroiodide
CID 129655464
3-Azidopropan-1-amine
CID 150110
Platinum (II), dichloro(1,3-propanediammine)-
CID 147594
Putrescine-1,4-13C2
CID 10582739

Frequently Asked Questions

What is the IUPAC name of propane-1,3-diamine?
The IUPAC name of propane-1,3-diamine (CID 428) is propane-1,3-diamine.
What is the SMILES notation for propane-1,3-diamine?
The canonical SMILES for propane-1,3-diamine is NCCCN.
What is the InChIKey of propane-1,3-diamine?
The InChIKey is XFNJVJPLKCPIBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H10N2/c4-2-1-3-5/h1-5H2.
What are the key properties of propane-1,3-diamine?
propane-1,3-diamine has a molecular weight of 74.13 g/mol, XLogP of -0.71, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propane-1,3-diamine is sourced from PubChem (CID 428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).