prop-1-ene-1,2-diamine

C3H8N2 — CID 6713425

IUPACprop-1-ene-1,2-diamine
SMILESCC(N)=CN
InChIInChI=1S/C3H8N2/c1-3(5)2-4/h2H,4-5H2,1H3
InChIKeyFDMXADMEKAUMIV-UHFFFAOYSA-N
MW72.11 g/mol
LogP-0.23
Rot. Bonds

About prop-1-ene-1,2-diamine

prop-1-ene-1,2-diamine (PubChem CID 6713425) has the molecular formula C3H8N2 and a molecular weight of 72.11 g/mol. Its IUPAC name is prop-1-ene-1,2-diamine.

Molecular Properties

Compound Nameprop-1-ene-1,2-diamine
PubChem CID6713425
Molecular FormulaC3H8N2
Molecular Weight72.11 g/mol
Exact Mass72.07
IUPAC Nameprop-1-ene-1,2-diamine
SMILESCC(N)=CN
InChIInChI=1S/C3H8N2/c1-3(5)2-4/h2H,4-5H2,1H3
InChIKeyFDMXADMEKAUMIV-UHFFFAOYSA-N
XLogP-0.23
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50072.11
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of prop-1-ene-1,2-diamine?
The IUPAC name of prop-1-ene-1,2-diamine (CID 6713425) is prop-1-ene-1,2-diamine.
What is the SMILES notation for prop-1-ene-1,2-diamine?
The canonical SMILES for prop-1-ene-1,2-diamine is CC(N)=CN.
What is the InChIKey of prop-1-ene-1,2-diamine?
The InChIKey is FDMXADMEKAUMIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8N2/c1-3(5)2-4/h2H,4-5H2,1H3.
What are the key properties of prop-1-ene-1,2-diamine?
prop-1-ene-1,2-diamine has a molecular weight of 72.11 g/mol, XLogP of -0.23, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for prop-1-ene-1,2-diamine is sourced from PubChem (CID 6713425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).