3-bromopropan-1-amine;hydrochloride

C3H9BrClN — CID 12860765

IUPAC3-bromopropan-1-amine;hydrochloride
SMILESCl.NCCCBr
InChIInChI=1S/C3H8BrN.ClH/c4-2-1-3-5;/h1-3,5H2;1H
InChIKeyYGMQDBCXHASOHO-UHFFFAOYSA-N
MW174.47 g/mol
LogP1.15
Rot. Bonds2

About 3-bromopropan-1-amine;hydrochloride

3-bromopropan-1-amine;hydrochloride (PubChem CID 12860765) has the molecular formula C3H9BrClN and a molecular weight of 174.47 g/mol. Its IUPAC name is 3-bromopropan-1-amine;hydrochloride.

Molecular Properties

Compound Name3-bromopropan-1-amine;hydrochloride
PubChem CID12860765
Molecular FormulaC3H9BrClN
Molecular Weight174.47 g/mol
Exact Mass172.96
IUPAC Name3-bromopropan-1-amine;hydrochloride
SMILESCl.NCCCBr
InChIInChI=1S/C3H8BrN.ClH/c4-2-1-3-5;/h1-3,5H2;1H
InChIKeyYGMQDBCXHASOHO-UHFFFAOYSA-N
XLogP1.15
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.47
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 3-bromopropan-1-amine;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

3-bromopropan-1-amine;hydron
CID 174641241
6-bromohexan-1-amine
CID 3650626
tris(3-bromopropan-1-amine);phosphoric acid
CID 174914659
2-bromoethanamine;hydrobromide
CID 2774217
bromomethanamine;hydrochloride
CID 141040289
2-bromoethanamine;hypobromous acid
CID 159414282
N',N'-bis(2-bromoethyl)propane-1,3-diamine;dihydrobromide
CID 170557636
octatriacontane-1,38-diamine
CID 54235792
iron(3+);propane-1,3-diamine
CID 18953212
icosane-1,20-diamine;nonadecane-1,19-diamine
CID 155315822
ethane;ethane-1,2-diamine;dihydrochloride
CID 168908211
azane;butane-1,4-diamine
CID 87378889

Frequently Asked Questions

What is the IUPAC name of 3-bromopropan-1-amine;hydrochloride?
The IUPAC name of 3-bromopropan-1-amine;hydrochloride (CID 12860765) is 3-bromopropan-1-amine;hydrochloride.
What is the SMILES notation for 3-bromopropan-1-amine;hydrochloride?
The canonical SMILES for 3-bromopropan-1-amine;hydrochloride is Cl.NCCCBr.
What is the InChIKey of 3-bromopropan-1-amine;hydrochloride?
The InChIKey is YGMQDBCXHASOHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8BrN.ClH/c4-2-1-3-5;/h1-3,5H2;1H.
What are the key properties of 3-bromopropan-1-amine;hydrochloride?
3-bromopropan-1-amine;hydrochloride has a molecular weight of 174.47 g/mol, XLogP of 1.15, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromopropan-1-amine;hydrochloride is sourced from PubChem (CID 12860765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).