dimethyl-(5-methylhexyl)-pentan-3-ylazanium

C14H32N+ — CID 123383446

IUPACdimethyl-(5-methylhexyl)-pentan-3-ylazanium
SMILESCCC(CC)[N+](C)(C)CCCCC(C)C
InChIInChI=1S/C14H32N/c1-7-14(8-2)15(5,6)12-10-9-11-13(3)4/h13-14H,7-12H2,1-6H3/q+1
InChIKeyHVJQAAFCKXMNDE-UHFFFAOYSA-N
MW214.42 g/mol
LogP4.08
Rot. Bonds8

About dimethyl-(5-methylhexyl)-pentan-3-ylazanium

dimethyl-(5-methylhexyl)-pentan-3-ylazanium (PubChem CID 123383446) has the molecular formula C14H32N+ and a molecular weight of 214.42 g/mol. Its IUPAC name is dimethyl-(5-methylhexyl)-pentan-3-ylazanium.

Molecular Properties

Compound Namedimethyl-(5-methylhexyl)-pentan-3-ylazanium
PubChem CID123383446
Molecular FormulaC14H32N+
Molecular Weight214.42 g/mol
Exact Mass214.25
IUPAC Namedimethyl-(5-methylhexyl)-pentan-3-ylazanium
SMILESCCC(CC)[N+](C)(C)CCCCC(C)C
InChIInChI=1S/C14H32N/c1-7-14(8-2)15(5,6)12-10-9-11-13(3)4/h13-14H,7-12H2,1-6H3/q+1
InChIKeyHVJQAAFCKXMNDE-UHFFFAOYSA-N
XLogP4.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.42
LogP ≤ 54.08
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-octadecyl-octan-3-ylazanium
CID 22995160
methyl-tris(8-methylnonyl)azanium
CID 19958085
ethyl-dimethyl-(16-methylheptadecyl)azanium
CID 11965084
dimethyl-bis(7-methyloctyl)azanium chloride
CID 18689480
dimethyl-bis(16-methylheptadecyl)azanium chloride
CID 23440613
dimethyl-bis(6-methylheptyl)azanium chloride
CID 86159074
dimethyl-nonacosan-13-yl-octadecylazanium chloride
CID 176902314
hexadecyl-dimethyl-(5-methylhexyl)azanium
CID 160742680
ethyl-tris(6-methylheptyl)azanium
CID 19849312
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

Frequently Asked Questions

What is the IUPAC name of dimethyl-(5-methylhexyl)-pentan-3-ylazanium?
The IUPAC name of dimethyl-(5-methylhexyl)-pentan-3-ylazanium (CID 123383446) is dimethyl-(5-methylhexyl)-pentan-3-ylazanium.
What is the SMILES notation for dimethyl-(5-methylhexyl)-pentan-3-ylazanium?
The canonical SMILES for dimethyl-(5-methylhexyl)-pentan-3-ylazanium is CCC(CC)[N+](C)(C)CCCCC(C)C.
What is the InChIKey of dimethyl-(5-methylhexyl)-pentan-3-ylazanium?
The InChIKey is HVJQAAFCKXMNDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N/c1-7-14(8-2)15(5,6)12-10-9-11-13(3)4/h13-14H,7-12H2,1-6H3/q+1.
What are the key properties of dimethyl-(5-methylhexyl)-pentan-3-ylazanium?
dimethyl-(5-methylhexyl)-pentan-3-ylazanium has a molecular weight of 214.42 g/mol, XLogP of 4.08, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-(5-methylhexyl)-pentan-3-ylazanium is sourced from PubChem (CID 123383446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).