dimethyl-bis(7-methyloctyl)azanium chloride

C20H44ClN — CID 18689480

IUPACdimethyl-bis(7-methyloctyl)azanium chloride
SMILESCC(C)CCCCCC[N+](C)(C)CCCCCCC(C)C.[Cl-]
InChIInChI=1S/C20H44N.ClH/c1-19(2)15-11-7-9-13-17-21(5,6)18-14-10-8-12-16-20(3)4;/h19-20H,7-18H2,1-6H3;1H/q+1;/p-1
InChIKeyBHTLGMYLBDMZSQ-UHFFFAOYSA-M
MW334.03 g/mol
LogP3.28
Rot. Bonds14

About dimethyl-bis(7-methyloctyl)azanium chloride

dimethyl-bis(7-methyloctyl)azanium chloride (PubChem CID 18689480) has the molecular formula C20H44ClN and a molecular weight of 334.03 g/mol. Its IUPAC name is dimethyl-bis(7-methyloctyl)azanium chloride.

Molecular Properties

Compound Namedimethyl-bis(7-methyloctyl)azanium chloride
PubChem CID18689480
Molecular FormulaC20H44ClN
Molecular Weight334.03 g/mol
Exact Mass333.32
IUPAC Namedimethyl-bis(7-methyloctyl)azanium chloride
SMILESCC(C)CCCCCC[N+](C)(C)CCCCCCC(C)C.[Cl-]
InChIInChI=1S/C20H44N.ClH/c1-19(2)15-11-7-9-13-17-21(5,6)18-14-10-8-12-16-20(3)4;/h19-20H,7-18H2,1-6H3;1H/q+1;/p-1
InChIKeyBHTLGMYLBDMZSQ-UHFFFAOYSA-M
XLogP3.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.03
LogP ≤ 53.28
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(16-methylheptadecyl)azanium chloride
CID 23440613
dimethyl-bis(6-methylheptyl)azanium chloride
CID 86159074
hexadecyl-dimethyl-(5-methylhexyl)azanium
CID 160742680
ethyl-dimethyl-(16-methylheptadecyl)azanium
CID 11965084
methyl-tris(8-methylnonyl)azanium
CID 19958085
icosyl-dimethyl-(3-methylbutyl)azanium
CID 158632854
dimethyl-bis(16-methylheptadecyl)azanium;methyl sulfate
CID 23070334
N,N,16-trimethylheptadecan-1-amine oxide
CID 23129549
2,9-dimethyldecane;2,11-dimethyldodecane;2,8-dimethylnonane;2,7-dimethyloctane;2,10-dimethylundecane
CID 161261647
2,22-dimethyltricosane
CID 58100191
dimethyl-(21-methyl-18-silyldocosyl)-octadecylazanium
CID 151093423
trimethyl(4-methylpentyl)azanium chloride
CID 86159928

Frequently Asked Questions

What is the IUPAC name of dimethyl-bis(7-methyloctyl)azanium chloride?
The IUPAC name of dimethyl-bis(7-methyloctyl)azanium chloride (CID 18689480) is dimethyl-bis(7-methyloctyl)azanium chloride.
What is the SMILES notation for dimethyl-bis(7-methyloctyl)azanium chloride?
The canonical SMILES for dimethyl-bis(7-methyloctyl)azanium chloride is CC(C)CCCCCC[N+](C)(C)CCCCCCC(C)C.[Cl-].
What is the InChIKey of dimethyl-bis(7-methyloctyl)azanium chloride?
The InChIKey is BHTLGMYLBDMZSQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C20H44N.ClH/c1-19(2)15-11-7-9-13-17-21(5,6)18-14-10-8-12-16-20(3)4;/h19-20H,7-18H2,1-6H3;1H/q+1;/p-1.
What are the key properties of dimethyl-bis(7-methyloctyl)azanium chloride?
dimethyl-bis(7-methyloctyl)azanium chloride has a molecular weight of 334.03 g/mol, XLogP of 3.28, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-bis(7-methyloctyl)azanium chloride is sourced from PubChem (CID 18689480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).