dimethyl-bis(6-methylheptyl)azanium chloride

C18H40ClN — CID 86159074

IUPACdimethyl-bis(6-methylheptyl)azanium chloride
SMILESCC(C)CCCCC[N+](C)(C)CCCCCC(C)C.[Cl-]
InChIInChI=1S/C18H40N.ClH/c1-17(2)13-9-7-11-15-19(5,6)16-12-8-10-14-18(3)4;/h17-18H,7-16H2,1-6H3;1H/q+1;/p-1
InChIKeyBDTIJAFXCVKMCP-UHFFFAOYSA-M
MW305.98 g/mol
LogP2.50
Rot. Bonds12

About dimethyl-bis(6-methylheptyl)azanium chloride

dimethyl-bis(6-methylheptyl)azanium chloride (PubChem CID 86159074) has the molecular formula C18H40ClN and a molecular weight of 305.98 g/mol. Its IUPAC name is dimethyl-bis(6-methylheptyl)azanium chloride.

Molecular Properties

Compound Namedimethyl-bis(6-methylheptyl)azanium chloride
PubChem CID86159074
Molecular FormulaC18H40ClN
Molecular Weight305.98 g/mol
Exact Mass305.28
IUPAC Namedimethyl-bis(6-methylheptyl)azanium chloride
SMILESCC(C)CCCCC[N+](C)(C)CCCCCC(C)C.[Cl-]
InChIInChI=1S/C18H40N.ClH/c1-17(2)13-9-7-11-15-19(5,6)16-12-8-10-14-18(3)4;/h17-18H,7-16H2,1-6H3;1H/q+1;/p-1
InChIKeyBDTIJAFXCVKMCP-UHFFFAOYSA-M
XLogP2.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.98
LogP ≤ 52.50
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(7-methyloctyl)azanium chloride
CID 18689480
dimethyl-bis(16-methylheptadecyl)azanium chloride
CID 23440613
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(6-methylheptyl)azanium chloride?
The IUPAC name of dimethyl-bis(6-methylheptyl)azanium chloride (CID 86159074) is dimethyl-bis(6-methylheptyl)azanium chloride.
What is the SMILES notation for dimethyl-bis(6-methylheptyl)azanium chloride?
The canonical SMILES for dimethyl-bis(6-methylheptyl)azanium chloride is CC(C)CCCCC[N+](C)(C)CCCCCC(C)C.[Cl-].
What is the InChIKey of dimethyl-bis(6-methylheptyl)azanium chloride?
The InChIKey is BDTIJAFXCVKMCP-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H40N.ClH/c1-17(2)13-9-7-11-15-19(5,6)16-12-8-10-14-18(3)4;/h17-18H,7-16H2,1-6H3;1H/q+1;/p-1.
What are the key properties of dimethyl-bis(6-methylheptyl)azanium chloride?
dimethyl-bis(6-methylheptyl)azanium chloride has a molecular weight of 305.98 g/mol, XLogP of 2.50, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-bis(6-methylheptyl)azanium chloride is sourced from PubChem (CID 86159074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).