2,2-dimethylbutyl(trimethyl)azanium

C9H21N+2 — CID 91415048

IUPAC2,2-dimethylbutyl(trimethyl)azanium
SMILESC[CH+]C(C)(C)C[N+](C)(C)C
InChIInChI=1S/C9H21N/c1-7-9(2,3)8-10(4,5)6/h7H,8H2,1-6H3/q+2
InChIKeyVDEUUVMBOYQBCE-UHFFFAOYSA-N
MW143.27 g/mol
LogP1.94
Rot. Bonds3

About 2,2-dimethylbutyl(trimethyl)azanium

2,2-dimethylbutyl(trimethyl)azanium (PubChem CID 91415048) has the molecular formula C9H21N+2 and a molecular weight of 143.27 g/mol. Its IUPAC name is 2,2-dimethylbutyl(trimethyl)azanium.

Molecular Properties

Compound Name2,2-dimethylbutyl(trimethyl)azanium
PubChem CID91415048
Molecular FormulaC9H21N+2
Molecular Weight143.27 g/mol
Exact Mass143.17
IUPAC Name2,2-dimethylbutyl(trimethyl)azanium
SMILESC[CH+]C(C)(C)C[N+](C)(C)C
InChIInChI=1S/C9H21N/c1-7-9(2,3)8-10(4,5)6/h7H,8H2,1-6H3/q+2
InChIKeyVDEUUVMBOYQBCE-UHFFFAOYSA-N
XLogP1.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.27
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 2,2-dimethylbutyl(trimethyl)azanium 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-(3-methylbutyl)diethylamine
CID 199672
N,N,2,3,3-Pentamethylbutan-1-amine
CID 123199
N-methyl-N-(3-methylbutyl)-1-propanamine
CID 59962235
N,N,3,3-Tetramethylbutylamine
CID 19033341
Isoamyldibutylamine
CID 20558830
(2-methylbutyl)-N,N'-diethylamine
CID 13315691
Isoamyltrimethylammoniumchlorid
CID 19093139
(2-Methylbutyl)dipropylamine
CID 20603381
N,N,3,3-tetramethylbutan-2-amine
CID 20682214
(S)-(2-methylbutyl)dipropylamine
CID 59111738
N,N-bis(3,3-dimethylbutyl)-3,3-dimethylbutan-1-amine
CID 59404198
N,N,2,2,4,4-Hexamethylpentylamine
CID 118353

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylbutyl(trimethyl)azanium?
The IUPAC name of 2,2-dimethylbutyl(trimethyl)azanium (CID 91415048) is 2,2-dimethylbutyl(trimethyl)azanium.
What is the SMILES notation for 2,2-dimethylbutyl(trimethyl)azanium?
The canonical SMILES for 2,2-dimethylbutyl(trimethyl)azanium is C[CH+]C(C)(C)C[N+](C)(C)C.
What is the InChIKey of 2,2-dimethylbutyl(trimethyl)azanium?
The InChIKey is VDEUUVMBOYQBCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N/c1-7-9(2,3)8-10(4,5)6/h7H,8H2,1-6H3/q+2.
What are the key properties of 2,2-dimethylbutyl(trimethyl)azanium?
2,2-dimethylbutyl(trimethyl)azanium has a molecular weight of 143.27 g/mol, XLogP of 1.94, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylbutyl(trimethyl)azanium is sourced from PubChem (CID 91415048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).