ethyl-dimethyl-(16-methylheptadecyl)azanium

C22H48N+ — CID 11965084

IUPACethyl-dimethyl-(16-methylheptadecyl)azanium
SMILESCC[N+](C)(C)CCCCCCCCCCCCCCCC(C)C
InChIInChI=1S/C22H48N/c1-6-23(4,5)21-19-17-15-13-11-9-7-8-10-12-14-16-18-20-22(2)3/h22H,6-21H2,1-5H3/q+1
InChIKeyJVRIYDRSAPVLNH-UHFFFAOYSA-N
MW326.63 g/mol
LogP7.20
Rot. Bonds17

About ethyl-dimethyl-(16-methylheptadecyl)azanium

ethyl-dimethyl-(16-methylheptadecyl)azanium (PubChem CID 11965084) has the molecular formula C22H48N+ and a molecular weight of 326.63 g/mol. Its IUPAC name is ethyl-dimethyl-(16-methylheptadecyl)azanium.

Molecular Properties

Compound Nameethyl-dimethyl-(16-methylheptadecyl)azanium
PubChem CID11965084
Molecular FormulaC22H48N+
Molecular Weight326.63 g/mol
Exact Mass326.38
IUPAC Nameethyl-dimethyl-(16-methylheptadecyl)azanium
SMILESCC[N+](C)(C)CCCCCCCCCCCCCCCC(C)C
InChIInChI=1S/C22H48N/c1-6-23(4,5)21-19-17-15-13-11-9-7-8-10-12-14-16-18-20-22(2)3/h22H,6-21H2,1-5H3/q+1
InChIKeyJVRIYDRSAPVLNH-UHFFFAOYSA-N
XLogP7.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds17
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.63
LogP ≤ 57.20
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
dimethyl-bis(6-methylheptyl)azanium chloride
CID 86159074
hexadecyl-dimethyl-(5-methylhexyl)azanium
CID 160742680
ethyl-[4-[ethyl(dimethyl)azaniumyl]butyl]-dimethylazanium
CID 25995
ethyl-tris(6-methylheptyl)azanium
CID 19849312
methyl-tris(8-methylnonyl)azanium
CID 19958085
ethyl-[6-[2-[6-[2-[6-[2-[6-[2-[6-[ethyl(dimethyl)azaniumyl]hexyl-dimethylazaniumyl]ethyl-dimethylazaniumyl]hexyl-dimethylazaniumyl]ethyl-dimethylazaniumyl]hexyl-dimethylazaniumyl]ethyl-dimethylazaniumyl]hexyl-dimethylazaniumyl]ethyl-dimethylazaniumyl]hexyl]-dimethylazanium
CID 101017980
icosyl-dimethyl-(3-methylbutyl)azanium
CID 158632854
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 ethyl-dimethyl-(16-methylheptadecyl)azanium?
The IUPAC name of ethyl-dimethyl-(16-methylheptadecyl)azanium (CID 11965084) is ethyl-dimethyl-(16-methylheptadecyl)azanium.
What is the SMILES notation for ethyl-dimethyl-(16-methylheptadecyl)azanium?
The canonical SMILES for ethyl-dimethyl-(16-methylheptadecyl)azanium is CC[N+](C)(C)CCCCCCCCCCCCCCCC(C)C.
What is the InChIKey of ethyl-dimethyl-(16-methylheptadecyl)azanium?
The InChIKey is JVRIYDRSAPVLNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H48N/c1-6-23(4,5)21-19-17-15-13-11-9-7-8-10-12-14-16-18-20-22(2)3/h22H,6-21H2,1-5H3/q+1.
What are the key properties of ethyl-dimethyl-(16-methylheptadecyl)azanium?
ethyl-dimethyl-(16-methylheptadecyl)azanium has a molecular weight of 326.63 g/mol, XLogP of 7.20, 17 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-dimethyl-(16-methylheptadecyl)azanium is sourced from PubChem (CID 11965084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).