propane-1,2-diamine

C3H10N2 — CID 6567

IUPACpropane-1,2-diamine
SMILESCC(N)CN
InChIInChI=1S/C3H10N2/c1-3(5)2-4/h3H,2,4-5H2,1H3
InChIKeyAOHJOMMDDJHIJH-UHFFFAOYSA-N
MW74.13 g/mol
LogP-0.71
Rot. Bonds1

About propane-1,2-diamine

propane-1,2-diamine (PubChem CID 6567) has the molecular formula C3H10N2 and a molecular weight of 74.13 g/mol. Its IUPAC name is propane-1,2-diamine.

Molecular Properties

Compound Namepropane-1,2-diamine
PubChem CID6567
Molecular FormulaC3H10N2
Molecular Weight74.13 g/mol
Exact Mass74.08
IUPAC Namepropane-1,2-diamine
SMILESCC(N)CN
InChIInChI=1S/C3H10N2/c1-3(5)2-4/h3H,2,4-5H2,1H3
InChIKeyAOHJOMMDDJHIJH-UHFFFAOYSA-N
XLogP-0.71
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
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

Analyze propane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Sec-Butylamine
CID 24874
Isopropylamine
CID 6363
2-Butanamine, (S)-
CID 6713753
Isopropylammonium chloride
CID 27399
(R)-sec-butylamine
CID 2724537
1,2-Diaminopropane, (S)-
CID 642322
2-Propanamine, hydrochloride (1:1)
CID 6432137
Isopropylaminium
CID 3364502
2,3-Butanediamine
CID 136362
1,2,3-Triaminopropane
CID 432418
(2R)-propane-1,2-diamine dihydrochloride
CID 12217444
1,2-Butanediamine
CID 138231

Frequently Asked Questions

What is the IUPAC name of propane-1,2-diamine?
The IUPAC name of propane-1,2-diamine (CID 6567) is propane-1,2-diamine.
What is the SMILES notation for propane-1,2-diamine?
The canonical SMILES for propane-1,2-diamine is CC(N)CN.
What is the InChIKey of propane-1,2-diamine?
The InChIKey is AOHJOMMDDJHIJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H10N2/c1-3(5)2-4/h3H,2,4-5H2,1H3.
What are the key properties of propane-1,2-diamine?
propane-1,2-diamine has a molecular weight of 74.13 g/mol, XLogP of -0.71, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propane-1,2-diamine is sourced from PubChem (CID 6567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).