methyl-tris(8-methylnonyl)azanium

C31H66N+ — CID 19958085

IUPACmethyl-tris(8-methylnonyl)azanium
SMILESCC(C)CCCCCCC[N+](C)(CCCCCCCC(C)C)CCCCCCCC(C)C
InChIInChI=1S/C31H66N/c1-29(2)23-17-11-8-14-20-26-32(7,27-21-15-9-12-18-24-30(3)4)28-22-16-10-13-19-25-31(5)6/h29-31H,8-28H2,1-7H3/q+1
InChIKeyVFBKGXBYWOEWFL-UHFFFAOYSA-N
MW452.88 g/mol
LogP10.42
Rot. Bonds24

About methyl-tris(8-methylnonyl)azanium

methyl-tris(8-methylnonyl)azanium (PubChem CID 19958085) has the molecular formula C31H66N+ and a molecular weight of 452.88 g/mol. Its IUPAC name is methyl-tris(8-methylnonyl)azanium.

Molecular Properties

Compound Namemethyl-tris(8-methylnonyl)azanium
PubChem CID19958085
Molecular FormulaC31H66N+
Molecular Weight452.88 g/mol
Exact Mass452.52
IUPAC Namemethyl-tris(8-methylnonyl)azanium
SMILESCC(C)CCCCCCC[N+](C)(CCCCCCCC(C)C)CCCCCCCC(C)C
InChIInChI=1S/C31H66N/c1-29(2)23-17-11-8-14-20-26-32(7,27-21-15-9-12-18-24-30(3)4)28-22-16-10-13-19-25-31(5)6/h29-31H,8-28H2,1-7H3/q+1
InChIKeyVFBKGXBYWOEWFL-UHFFFAOYSA-N
XLogP10.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds24
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.88
LogP ≤ 510.42
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

methyl-(4-methylpentyl)-di(undecyl)azanium
CID 167409272
dimethyl-bis(7-methyloctyl)azanium chloride
CID 18689480
dimethyl-bis(16-methylheptadecyl)azanium chloride
CID 23440613
dimethyl-bis(6-methylheptyl)azanium chloride
CID 86159074
N,N,16-trimethylheptadecan-1-amine oxide
CID 23129549
trimethyl-[3-[methyl-bis(4-methylpentyl)azaniumyl]propyl]azanium
CID 58371377
2,9-dimethyldecane;2,11-dimethyldodecane;2,8-dimethylnonane;2,7-dimethyloctane;2,10-dimethylundecane
CID 161261647
2,22-dimethyltricosane
CID 58100191
ethyl-dimethyl-(16-methylheptadecyl)azanium
CID 11965084
hexadecyl-dimethyl-(5-methylhexyl)azanium
CID 160742680
ethyl-tris(6-methylheptyl)azanium
CID 19849312
bis(2-hydroxyethyl)-methyl-[3-(8-methylnonoxy)propyl]azanium chloride
CID 15775232

Frequently Asked Questions

What is the IUPAC name of methyl-tris(8-methylnonyl)azanium?
The IUPAC name of methyl-tris(8-methylnonyl)azanium (CID 19958085) is methyl-tris(8-methylnonyl)azanium.
What is the SMILES notation for methyl-tris(8-methylnonyl)azanium?
The canonical SMILES for methyl-tris(8-methylnonyl)azanium is CC(C)CCCCCCC[N+](C)(CCCCCCCC(C)C)CCCCCCCC(C)C.
What is the InChIKey of methyl-tris(8-methylnonyl)azanium?
The InChIKey is VFBKGXBYWOEWFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H66N/c1-29(2)23-17-11-8-14-20-26-32(7,27-21-15-9-12-18-24-30(3)4)28-22-16-10-13-19-25-31(5)6/h29-31H,8-28H2,1-7H3/q+1.
What are the key properties of methyl-tris(8-methylnonyl)azanium?
methyl-tris(8-methylnonyl)azanium has a molecular weight of 452.88 g/mol, XLogP of 10.42, 24 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-tris(8-methylnonyl)azanium is sourced from PubChem (CID 19958085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).