3-bromopropan-1-amine;hydron

C3H9BrN+ — CID 174641241

IUPAC3-bromopropan-1-amine;hydron
SMILESNCCCBr.[H+]
InChIInChI=1S/C3H8BrN/c4-2-1-3-5/h1-3,5H2/p+1
InChIKeyZTGQZSKPSJUEBU-UHFFFAOYSA-O
MW139.02 g/mol
LogP0.84
Rot. Bonds2

About 3-bromopropan-1-amine;hydron

3-bromopropan-1-amine;hydron (PubChem CID 174641241) has the molecular formula C3H9BrN+ and a molecular weight of 139.02 g/mol. Its IUPAC name is 3-bromopropan-1-amine;hydron.

Molecular Properties

Compound Name3-bromopropan-1-amine;hydron
PubChem CID174641241
Molecular FormulaC3H9BrN+
Molecular Weight139.02 g/mol
Exact Mass137.99
IUPAC Name3-bromopropan-1-amine;hydron
SMILESNCCCBr.[H+]
InChIInChI=1S/C3H8BrN/c4-2-1-3-5/h1-3,5H2/p+1
InChIKeyZTGQZSKPSJUEBU-UHFFFAOYSA-O
XLogP0.84
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.02
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-bromopropan-1-amine;hydrochloride
CID 12860765
6-bromohexan-1-amine
CID 3650626
tris(3-bromopropan-1-amine);phosphoric acid
CID 174914659
hydron;propane-1,3-diamine;iodide
CID 175361100
2-bromoethanamine;hydrobromide
CID 2774217
bromomethanamine;hydron
CID 174955296
2-bromoethanamine;hypobromous acid
CID 159414282
N',N'-bis(2-bromoethyl)propane-1,3-diamine;dihydrobromide
CID 170557636
azane;butane-1,4-diamine
CID 87378889
octatriacontane-1,38-diamine
CID 54235792
icosane-1,20-diamine;nonadecane-1,19-diamine
CID 155315822
decane-1,10-diamine;nonane-1,9-diamine
CID 18179225

Frequently Asked Questions

What is the IUPAC name of 3-bromopropan-1-amine;hydron?
The IUPAC name of 3-bromopropan-1-amine;hydron (CID 174641241) is 3-bromopropan-1-amine;hydron.
What is the SMILES notation for 3-bromopropan-1-amine;hydron?
The canonical SMILES for 3-bromopropan-1-amine;hydron is NCCCBr.[H+].
What is the InChIKey of 3-bromopropan-1-amine;hydron?
The InChIKey is ZTGQZSKPSJUEBU-UHFFFAOYSA-O. The full InChI is InChI=1S/C3H8BrN/c4-2-1-3-5/h1-3,5H2/p+1.
What are the key properties of 3-bromopropan-1-amine;hydron?
3-bromopropan-1-amine;hydron has a molecular weight of 139.02 g/mol, XLogP of 0.84, 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;hydron is sourced from PubChem (CID 174641241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).