2-methylpropylazanium chloride

C4H12ClN — CID 21133

IUPAC2-methylpropylazanium chloride
SMILESCC(C)C[NH3+].[Cl-]
InChIInChI=1S/C4H11N.ClH/c1-4(2)3-5;/h4H,3,5H2,1-2H3;1H
InChIKeyBSMNBEHEFWDHJD-UHFFFAOYSA-N
MW109.60 g/mol
LogP-3.11
Rot. Bonds1

About 2-methylpropylazanium chloride

2-methylpropylazanium chloride (PubChem CID 21133) has the molecular formula C4H12ClN and a molecular weight of 109.60 g/mol. Its IUPAC name is 2-methylpropylazanium chloride.

Molecular Properties

Compound Name2-methylpropylazanium chloride
PubChem CID21133
Molecular FormulaC4H12ClN
Molecular Weight109.60 g/mol
Exact Mass109.07
IUPAC Name2-methylpropylazanium chloride
SMILESCC(C)C[NH3+].[Cl-]
InChIInChI=1S/C4H11N.ClH/c1-4(2)3-5;/h4H,3,5H2,1-2H3;1H
InChIKeyBSMNBEHEFWDHJD-UHFFFAOYSA-N
XLogP-3.11
TPSA27.64 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.60
LogP ≤ 5-3.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Analyze 2-methylpropylazanium chloride 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

Isoamylamine
CID 7894
Isobutylamine
CID 6558
2-Methylbutylamine
CID 7283
Propylamine hydrochloride
CID 11165
1-Butanamine, 3-methyl-, hydrochloride (1:1)
CID 10922
n-Butylamine hydrochloride
CID 19726
2-Methylbutylamine, (S)-
CID 2724272
Butylamine hydrochloride
CID 6432400
Isobutylammonium
CID 3041751
(2R)-2-methylbutan-1-amine
CID 641006
Isobutylamine Hydrochloride
CID 12206183
3-Methylbutan-2-amine--hydrogen chloride (1/1)
CID 120793

Frequently Asked Questions

What is the IUPAC name of 2-methylpropylazanium chloride?
The IUPAC name of 2-methylpropylazanium chloride (CID 21133) is 2-methylpropylazanium chloride.
What is the SMILES notation for 2-methylpropylazanium chloride?
The canonical SMILES for 2-methylpropylazanium chloride is CC(C)C[NH3+].[Cl-].
What is the InChIKey of 2-methylpropylazanium chloride?
The InChIKey is BSMNBEHEFWDHJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11N.ClH/c1-4(2)3-5;/h4H,3,5H2,1-2H3;1H.
What are the key properties of 2-methylpropylazanium chloride?
2-methylpropylazanium chloride has a molecular weight of 109.60 g/mol, XLogP of -3.11, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropylazanium chloride is sourced from PubChem (CID 21133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).