trimethyl(2-methylbutyl)azanium chloride

C8H20ClN — CID 159075449

IUPACtrimethyl(2-methylbutyl)azanium chloride
SMILESCCC(C)C[N+](C)(C)C.[Cl-]
InChIInChI=1S/C8H20N.ClH/c1-6-8(2)7-9(3,4)5;/h8H,6-7H2,1-5H3;1H/q+1;/p-1
InChIKeyKAEOVDTWMMPSFK-UHFFFAOYSA-M
MW165.71 g/mol
LogP-1.26
Rot. Bonds3

About trimethyl(2-methylbutyl)azanium chloride

trimethyl(2-methylbutyl)azanium chloride (PubChem CID 159075449) has the molecular formula C8H20ClN and a molecular weight of 165.71 g/mol. Its IUPAC name is trimethyl(2-methylbutyl)azanium chloride.

Molecular Properties

Compound Nametrimethyl(2-methylbutyl)azanium chloride
PubChem CID159075449
Molecular FormulaC8H20ClN
Molecular Weight165.71 g/mol
Exact Mass165.13
IUPAC Nametrimethyl(2-methylbutyl)azanium chloride
SMILESCCC(C)C[N+](C)(C)C.[Cl-]
InChIInChI=1S/C8H20N.ClH/c1-6-8(2)7-9(3,4)5;/h8H,6-7H2,1-5H3;1H/q+1;/p-1
InChIKeyKAEOVDTWMMPSFK-UHFFFAOYSA-M
XLogP-1.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.71
LogP ≤ 5-1.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze trimethyl(2-methylbutyl)azanium 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

methane;trimethyl(2-methylbutyl)azanium
CID 162147033
methyl-(2-methylbutyl)-dipropylazanium
CID 139247008
dimethyl-(2-methylbutyl)-(2-methylheptyl)azanium
CID 123829284
butyl-dimethyl-(2-methylbutyl)azanium
CID 88981039
(2-ethyl-3-methylpentyl)-trimethylazanium
CID 88887773
2-ethylbutyl(trimethyl)azanium hydroxide
CID 135203842
3-methylpentane;hydrate
CID 144914279
3-methylpentane;propane
CID 123266773
methane;3-methylpentane
CID 153359275
ethane;3-methylpentane
CID 91147782
methane;3-methylpentane
CID 157218592
(4-hydroxy-2-methylpent-4-enyl)-trimethylazanium
CID 146650580

Frequently Asked Questions

What is the IUPAC name of trimethyl(2-methylbutyl)azanium chloride?
The IUPAC name of trimethyl(2-methylbutyl)azanium chloride (CID 159075449) is trimethyl(2-methylbutyl)azanium chloride.
What is the SMILES notation for trimethyl(2-methylbutyl)azanium chloride?
The canonical SMILES for trimethyl(2-methylbutyl)azanium chloride is CCC(C)C[N+](C)(C)C.[Cl-].
What is the InChIKey of trimethyl(2-methylbutyl)azanium chloride?
The InChIKey is KAEOVDTWMMPSFK-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H20N.ClH/c1-6-8(2)7-9(3,4)5;/h8H,6-7H2,1-5H3;1H/q+1;/p-1.
What are the key properties of trimethyl(2-methylbutyl)azanium chloride?
trimethyl(2-methylbutyl)azanium chloride has a molecular weight of 165.71 g/mol, XLogP of -1.26, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl(2-methylbutyl)azanium chloride is sourced from PubChem (CID 159075449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).