dimethyl-(2-methylbutyl)-(2-methylheptyl)azanium

C15H34N+ — CID 123829284

IUPACdimethyl-(2-methylbutyl)-(2-methylheptyl)azanium
SMILESCCCCCC(C)C[N+](C)(C)CC(C)CC
InChIInChI=1S/C15H34N/c1-7-9-10-11-15(4)13-16(5,6)12-14(3)8-2/h14-15H,7-13H2,1-6H3/q+1
InChIKeyFORRQAXYVXHDHJ-UHFFFAOYSA-N
MW228.44 g/mol
LogP4.33
Rot. Bonds9

About dimethyl-(2-methylbutyl)-(2-methylheptyl)azanium

dimethyl-(2-methylbutyl)-(2-methylheptyl)azanium (PubChem CID 123829284) has the molecular formula C15H34N+ and a molecular weight of 228.44 g/mol. Its IUPAC name is dimethyl-(2-methylbutyl)-(2-methylheptyl)azanium.

Molecular Properties

Compound Namedimethyl-(2-methylbutyl)-(2-methylheptyl)azanium
PubChem CID123829284
Molecular FormulaC15H34N+
Molecular Weight228.44 g/mol
Exact Mass228.27
IUPAC Namedimethyl-(2-methylbutyl)-(2-methylheptyl)azanium
SMILESCCCCCC(C)C[N+](C)(C)CC(C)CC
InChIInChI=1S/C15H34N/c1-7-9-10-11-15(4)13-16(5,6)12-14(3)8-2/h14-15H,7-13H2,1-6H3/q+1
InChIKeyFORRQAXYVXHDHJ-UHFFFAOYSA-N
XLogP4.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.44
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

dimethyl-bis(2-methyltetradecyl)azanium chloride
CID 18681297
butyl-dimethyl-(2-methylbutyl)azanium
CID 88981039
3-methyldodecane
CID 28469
hexane;3-methylnonane
CID 173294071
(3R)-3-methylhexacosane
CID 134824557
(3R)-3-methyloctadecane
CID 98094048
(3R)-3-methyltetracosane
CID 162842417
dihexyl-methyl-(6-methyloctyl)azanium chloride
CID 175281709
dimethyl-(2-methyltetradecyl)-prop-2-enylazanium
CID 174309034
3,13,19-trimethylheptatriacontane
CID 172565400
magnesium;3-methyloctane;dibromide
CID 174825221
3,17-dimethylheptatriacontane
CID 6431061

Frequently Asked Questions

What is the IUPAC name of dimethyl-(2-methylbutyl)-(2-methylheptyl)azanium?
The IUPAC name of dimethyl-(2-methylbutyl)-(2-methylheptyl)azanium (CID 123829284) is dimethyl-(2-methylbutyl)-(2-methylheptyl)azanium.
What is the SMILES notation for dimethyl-(2-methylbutyl)-(2-methylheptyl)azanium?
The canonical SMILES for dimethyl-(2-methylbutyl)-(2-methylheptyl)azanium is CCCCCC(C)C[N+](C)(C)CC(C)CC.
What is the InChIKey of dimethyl-(2-methylbutyl)-(2-methylheptyl)azanium?
The InChIKey is FORRQAXYVXHDHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H34N/c1-7-9-10-11-15(4)13-16(5,6)12-14(3)8-2/h14-15H,7-13H2,1-6H3/q+1.
What are the key properties of dimethyl-(2-methylbutyl)-(2-methylheptyl)azanium?
dimethyl-(2-methylbutyl)-(2-methylheptyl)azanium has a molecular weight of 228.44 g/mol, XLogP of 4.33, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-(2-methylbutyl)-(2-methylheptyl)azanium is sourced from PubChem (CID 123829284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).