prop-1-ene-1,1-diamine;dihydrochloride

C3H10Cl2N2 — CID 141360869

IUPACprop-1-ene-1,1-diamine;dihydrochloride
SMILESCC=C(N)N.Cl.Cl
InChIInChI=1S/C3H8N2.2ClH/c1-2-3(4)5;;/h2H,4-5H2,1H3;2*1H
InChIKeyHXCFYRWZTUDDQV-UHFFFAOYSA-N
MW145.03 g/mol
LogP0.61
Rot. Bonds

About prop-1-ene-1,1-diamine;dihydrochloride

prop-1-ene-1,1-diamine;dihydrochloride (PubChem CID 141360869) has the molecular formula C3H10Cl2N2 and a molecular weight of 145.03 g/mol. Its IUPAC name is prop-1-ene-1,1-diamine;dihydrochloride.

Molecular Properties

Compound Nameprop-1-ene-1,1-diamine;dihydrochloride
PubChem CID141360869
Molecular FormulaC3H10Cl2N2
Molecular Weight145.03 g/mol
Exact Mass144.02
IUPAC Nameprop-1-ene-1,1-diamine;dihydrochloride
SMILESCC=C(N)N.Cl.Cl
InChIInChI=1S/C3H8N2.2ClH/c1-2-3(4)5;;/h2H,4-5H2,1H3;2*1H
InChIKeyHXCFYRWZTUDDQV-UHFFFAOYSA-N
XLogP0.61
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.03
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze prop-1-ene-1,1-diamine;dihydrochloride 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

sodium;hydride;prop-1-ene-1,1-diamine
CID 174521873
1-iodoprop-1-en-1-amine
CID 141312363
nonakis(diaminomethylideneazanium);hydrochloride
CID 131728604
azane;phosphoric acid;prop-1-ene-1,1-diamine;sulfuric acid
CID 175414224
2,2-diaminoethenesulfinic acid
CID 174754285
2,2-diaminoethenesulfinate
CID 174754284
2-hydroxybut-2-enamide;hydrochloride
CID 177282590
(E)-1-decoxyprop-1-en-1-amine
CID 88696659
(E)-1-octoxyprop-1-en-1-amine
CID 140692323
2-(dimethylamino)but-2-enamide;hydrochloride
CID 160636398
4-methylpent-2-en-3-amine
CID 72590374
but-2-en-2-ol;urea
CID 173334764

Frequently Asked Questions

What is the IUPAC name of prop-1-ene-1,1-diamine;dihydrochloride?
The IUPAC name of prop-1-ene-1,1-diamine;dihydrochloride (CID 141360869) is prop-1-ene-1,1-diamine;dihydrochloride.
What is the SMILES notation for prop-1-ene-1,1-diamine;dihydrochloride?
The canonical SMILES for prop-1-ene-1,1-diamine;dihydrochloride is CC=C(N)N.Cl.Cl.
What is the InChIKey of prop-1-ene-1,1-diamine;dihydrochloride?
The InChIKey is HXCFYRWZTUDDQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8N2.2ClH/c1-2-3(4)5;;/h2H,4-5H2,1H3;2*1H.
What are the key properties of prop-1-ene-1,1-diamine;dihydrochloride?
prop-1-ene-1,1-diamine;dihydrochloride has a molecular weight of 145.03 g/mol, XLogP of 0.61, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for prop-1-ene-1,1-diamine;dihydrochloride is sourced from PubChem (CID 141360869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).