butan-1-amine;hydrochloride

C4H12ClN — CID 6432400

IUPACbutan-1-amine;hydrochloride
SMILESCCCCN.Cl
InChIInChI=1S/C4H11N.ClH/c1-2-3-4-5;/h2-5H2,1H3;1H
InChIKeyICXXXLGATNSZAV-UHFFFAOYSA-N
MW109.60 g/mol
LogP1.17
Rot. Bonds2

About butan-1-amine;hydrochloride

butan-1-amine;hydrochloride (PubChem CID 6432400) has the molecular formula C4H12ClN and a molecular weight of 109.60 g/mol. Its IUPAC name is butan-1-amine;hydrochloride.

Molecular Properties

Compound Namebutan-1-amine;hydrochloride
PubChem CID6432400
Molecular FormulaC4H12ClN
Molecular Weight109.60 g/mol
Exact Mass109.07
IUPAC Namebutan-1-amine;hydrochloride
SMILESCCCCN.Cl
InChIInChI=1S/C4H11N.ClH/c1-2-3-4-5;/h2-5H2,1H3;1H
InChIKeyICXXXLGATNSZAV-UHFFFAOYSA-N
XLogP1.17
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.60
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze butan-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

Frequently Asked Questions

What is the IUPAC name of butan-1-amine;hydrochloride?
The IUPAC name of butan-1-amine;hydrochloride (CID 6432400) is butan-1-amine;hydrochloride.
What is the SMILES notation for butan-1-amine;hydrochloride?
The canonical SMILES for butan-1-amine;hydrochloride is CCCCN.Cl.
What is the InChIKey of butan-1-amine;hydrochloride?
The InChIKey is ICXXXLGATNSZAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11N.ClH/c1-2-3-4-5;/h2-5H2,1H3;1H.
What are the key properties of butan-1-amine;hydrochloride?
butan-1-amine;hydrochloride has a molecular weight of 109.60 g/mol, XLogP of 1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butan-1-amine;hydrochloride is sourced from PubChem (CID 6432400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).