propane-1,2-diamine;hydrochloride

C3H11ClN2 — CID 18976113

IUPACpropane-1,2-diamine;hydrochloride
SMILESCC(N)CN.Cl
InChIInChI=1S/C3H10N2.ClH/c1-3(5)2-4;/h3H,2,4-5H2,1H3;1H
InChIKeyNDCKJWQCEZPQOJ-UHFFFAOYSA-N
MW110.59 g/mol
LogP-0.29
Rot. Bonds1

About propane-1,2-diamine;hydrochloride

propane-1,2-diamine;hydrochloride (PubChem CID 18976113) has the molecular formula C3H11ClN2 and a molecular weight of 110.59 g/mol. Its IUPAC name is propane-1,2-diamine;hydrochloride.

Molecular Properties

Compound Namepropane-1,2-diamine;hydrochloride
PubChem CID18976113
Molecular FormulaC3H11ClN2
Molecular Weight110.59 g/mol
Exact Mass110.06
IUPAC Namepropane-1,2-diamine;hydrochloride
SMILESCC(N)CN.Cl
InChIInChI=1S/C3H10N2.ClH/c1-3(5)2-4;/h3H,2,4-5H2,1H3;1H
InChIKeyNDCKJWQCEZPQOJ-UHFFFAOYSA-N
XLogP-0.29
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.59
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze propane-1,2-diamine;hydrochloride 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

Isopropylamine
CID 6363
Propylenediamine
CID 6567
1,2-Diaminopropane, (S)-
CID 642322
2-Propanamine, hydrochloride (1:1)
CID 6432137
Isopropylaminium
CID 3364502
2,3-Butanediamine
CID 136362
Isopropylammonium chloride
CID 27399
sec-Butylammonium chloride
CID 24873
2-Butanamine, hydrochloride
CID 12274520
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;hydrochloride?
The IUPAC name of propane-1,2-diamine;hydrochloride (CID 18976113) is propane-1,2-diamine;hydrochloride.
What is the SMILES notation for propane-1,2-diamine;hydrochloride?
The canonical SMILES for propane-1,2-diamine;hydrochloride is CC(N)CN.Cl.
What is the InChIKey of propane-1,2-diamine;hydrochloride?
The InChIKey is NDCKJWQCEZPQOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H10N2.ClH/c1-3(5)2-4;/h3H,2,4-5H2,1H3;1H.
What are the key properties of propane-1,2-diamine;hydrochloride?
propane-1,2-diamine;hydrochloride has a molecular weight of 110.59 g/mol, XLogP of -0.29, 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;hydrochloride is sourced from PubChem (CID 18976113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).