methane;trimethyl(2-methylbutyl)azanium

C11H32N+ — CID 162147033

IUPACmethane;trimethyl(2-methylbutyl)azanium
SMILESC.C.C.CCC(C)C[N+](C)(C)C
InChIInChI=1S/C8H20N.3CH4/c1-6-8(2)7-9(3,4)5;;;/h8H,6-7H2,1-5H3;3*1H4/q+1;;;
InChIKeyVOKWJWXXPPIXCH-UHFFFAOYSA-N
MW178.38 g/mol
LogP3.65
Rot. Bonds3

About methane;trimethyl(2-methylbutyl)azanium

methane;trimethyl(2-methylbutyl)azanium (PubChem CID 162147033) has the molecular formula C11H32N+ and a molecular weight of 178.38 g/mol. Its IUPAC name is methane;trimethyl(2-methylbutyl)azanium.

Molecular Properties

Compound Namemethane;trimethyl(2-methylbutyl)azanium
PubChem CID162147033
Molecular FormulaC11H32N+
Molecular Weight178.38 g/mol
Exact Mass178.25
IUPAC Namemethane;trimethyl(2-methylbutyl)azanium
SMILESC.C.C.CCC(C)C[N+](C)(C)C
InChIInChI=1S/C8H20N.3CH4/c1-6-8(2)7-9(3,4)5;;;/h8H,6-7H2,1-5H3;3*1H4/q+1;;;
InChIKeyVOKWJWXXPPIXCH-UHFFFAOYSA-N
XLogP3.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.38
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

trimethyl(2-methylbutyl)azanium chloride
CID 159075449
methane;3-methylpentane
CID 157218592
methane;3-methylpentane
CID 153359275
methyl-(2-methylbutyl)-dipropylazanium
CID 139247008
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
ethane;3-methylpentane
CID 91147782
(4-hydroxy-2-methylpent-4-enyl)-trimethylazanium
CID 146650580
dimethyl-(2-methylbutyl)-(2-methylheptyl)azanium
CID 123829284

Frequently Asked Questions

What is the IUPAC name of methane;trimethyl(2-methylbutyl)azanium?
The IUPAC name of methane;trimethyl(2-methylbutyl)azanium (CID 162147033) is methane;trimethyl(2-methylbutyl)azanium.
What is the SMILES notation for methane;trimethyl(2-methylbutyl)azanium?
The canonical SMILES for methane;trimethyl(2-methylbutyl)azanium is C.C.C.CCC(C)C[N+](C)(C)C.
What is the InChIKey of methane;trimethyl(2-methylbutyl)azanium?
The InChIKey is VOKWJWXXPPIXCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N.3CH4/c1-6-8(2)7-9(3,4)5;;;/h8H,6-7H2,1-5H3;3*1H4/q+1;;;.
What are the key properties of methane;trimethyl(2-methylbutyl)azanium?
methane;trimethyl(2-methylbutyl)azanium has a molecular weight of 178.38 g/mol, XLogP of 3.65, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methane;trimethyl(2-methylbutyl)azanium is sourced from PubChem (CID 162147033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).