N-bromopropan-1-amine;hydrochloride

C3H9BrClN — CID 172709546

IUPACN-bromopropan-1-amine;hydrochloride
SMILESCCCNBr.Cl
InChIInChI=1S/C3H8BrN.ClH/c1-2-3-5-4;/h5H,2-3H2,1H3;1H
InChIKeyFBDMBNVJJCITJA-UHFFFAOYSA-N
MW174.47 g/mol
LogP1.72
Rot. Bonds2

About N-bromopropan-1-amine;hydrochloride

N-bromopropan-1-amine;hydrochloride (PubChem CID 172709546) has the molecular formula C3H9BrClN and a molecular weight of 174.47 g/mol. Its IUPAC name is N-bromopropan-1-amine;hydrochloride.

Molecular Properties

Compound NameN-bromopropan-1-amine;hydrochloride
PubChem CID172709546
Molecular FormulaC3H9BrClN
Molecular Weight174.47 g/mol
Exact Mass172.96
IUPAC NameN-bromopropan-1-amine;hydrochloride
SMILESCCCNBr.Cl
InChIInChI=1S/C3H8BrN.ClH/c1-2-3-5-4;/h5H,2-3H2,1H3;1H
InChIKeyFBDMBNVJJCITJA-UHFFFAOYSA-N
XLogP1.72
TPSA12.03 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 ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-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

N-bromooctan-1-amine
CID 89240139
N-bromopentadecan-1-amine
CID 174706274
N-bromohexadecan-1-amine;iron
CID 174774540
N-propylthiohydroxylamine;hydrochloride
CID 174939043
azane;N-propylpropan-1-amine;trihydrochloride
CID 173212322
N-bromotridecan-1-amine;N,N-dimethylmethanamine
CID 174706275
3-(bromoamino)propyl-tributylphosphanium bromide
CID 71532317
butane;dihydrochloride
CID 175321374
butane;dihydrochloride
CID 19855579
N-silylpropan-1-amine
CID 123593854
N-bromo-2-iodoethanamine
CID 126749017
N-ethenylpropan-1-amine;methane
CID 158278470

Frequently Asked Questions

What is the IUPAC name of N-bromopropan-1-amine;hydrochloride?
The IUPAC name of N-bromopropan-1-amine;hydrochloride (CID 172709546) is N-bromopropan-1-amine;hydrochloride.
What is the SMILES notation for N-bromopropan-1-amine;hydrochloride?
The canonical SMILES for N-bromopropan-1-amine;hydrochloride is CCCNBr.Cl.
What is the InChIKey of N-bromopropan-1-amine;hydrochloride?
The InChIKey is FBDMBNVJJCITJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8BrN.ClH/c1-2-3-5-4;/h5H,2-3H2,1H3;1H.
What are the key properties of N-bromopropan-1-amine;hydrochloride?
N-bromopropan-1-amine;hydrochloride has a molecular weight of 174.47 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-bromopropan-1-amine;hydrochloride is sourced from PubChem (CID 172709546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).