propane-1,3-diamine;dihydrobromide

C3H12Br2N2 — CID 88779942

IUPACpropane-1,3-diamine;dihydrobromide
SMILESBr.Br.NCCCN
InChIInChI=1S/C3H10N2.2BrH/c4-2-1-3-5;;/h1-5H2;2*1H
InChIKeyFSAFLEKOBQFCHY-UHFFFAOYSA-N
MW235.95 g/mol
LogP0.45
Rot. Bonds2

About propane-1,3-diamine;dihydrobromide

propane-1,3-diamine;dihydrobromide (PubChem CID 88779942) has the molecular formula C3H12Br2N2 and a molecular weight of 235.95 g/mol. Its IUPAC name is propane-1,3-diamine;dihydrobromide.

Molecular Properties

Compound Namepropane-1,3-diamine;dihydrobromide
PubChem CID88779942
Molecular FormulaC3H12Br2N2
Molecular Weight235.95 g/mol
Exact Mass233.94
IUPAC Namepropane-1,3-diamine;dihydrobromide
SMILESBr.Br.NCCCN
InChIInChI=1S/C3H10N2.2BrH/c4-2-1-3-5;;/h1-5H2;2*1H
InChIKeyFSAFLEKOBQFCHY-UHFFFAOYSA-N
XLogP0.45
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.95
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze propane-1,3-diamine;dihydrobromide 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

1,3-Propanediamine
CID 428
Trimethylenediaminium
CID 4030255
1,2-Ethanediamine, hydrobromide (1:2)
CID 164699
1,4-Diaminobutane Dihydrobromide
CID 92041197
(~2~H_6_)Propane-1,3-diamine
CID 54466908
Agn-PC-0ngbe6
CID 11126209
3-Aminopropylazanium
CID 5023702
Ethylenediammonium dibromide
CID 129697549
Propane-1,3-diamine;hydrobromide
CID 24192723
Lithium 3-aminopropylazanide
CID 11274963
1,3-Diaminopropane hydrochloride
CID 12217446
Propane-1,1,3-triamine
CID 19354539

Frequently Asked Questions

What is the IUPAC name of propane-1,3-diamine;dihydrobromide?
The IUPAC name of propane-1,3-diamine;dihydrobromide (CID 88779942) is propane-1,3-diamine;dihydrobromide.
What is the SMILES notation for propane-1,3-diamine;dihydrobromide?
The canonical SMILES for propane-1,3-diamine;dihydrobromide is Br.Br.NCCCN.
What is the InChIKey of propane-1,3-diamine;dihydrobromide?
The InChIKey is FSAFLEKOBQFCHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H10N2.2BrH/c4-2-1-3-5;;/h1-5H2;2*1H.
What are the key properties of propane-1,3-diamine;dihydrobromide?
propane-1,3-diamine;dihydrobromide has a molecular weight of 235.95 g/mol, XLogP of 0.45, 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;dihydrobromide is sourced from PubChem (CID 88779942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).