N,N,16-trimethylheptadecan-1-amine oxide

C20H43NO — CID 23129549

IUPACN,N,16-trimethylheptadecan-1-amine oxide
SMILESCC(C)CCCCCCCCCCCCCCC[N+](C)(C)[O-]
InChIInChI=1S/C20H43NO/c1-20(2)18-16-14-12-10-8-6-5-7-9-11-13-15-17-19-21(3,4)22/h20H,5-19H2,1-4H3
InChIKeyGCYGTRJKQWZIPM-UHFFFAOYSA-N
MW313.57 g/mol
LogP6.68
Rot. Bonds16

About N,N,16-trimethylheptadecan-1-amine oxide

N,N,16-trimethylheptadecan-1-amine oxide (PubChem CID 23129549) has the molecular formula C20H43NO and a molecular weight of 313.57 g/mol. Its IUPAC name is N,N,16-trimethylheptadecan-1-amine oxide.

Molecular Properties

Compound NameN,N,16-trimethylheptadecan-1-amine oxide
PubChem CID23129549
Molecular FormulaC20H43NO
Molecular Weight313.57 g/mol
Exact Mass313.33
IUPAC NameN,N,16-trimethylheptadecan-1-amine oxide
SMILESCC(C)CCCCCCCCCCCCCCC[N+](C)(C)[O-]
InChIInChI=1S/C20H43NO/c1-20(2)18-16-14-12-10-8-6-5-7-9-11-13-15-17-19-21(3,4)22/h20H,5-19H2,1-4H3
InChIKeyGCYGTRJKQWZIPM-UHFFFAOYSA-N
XLogP6.68
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.57
LogP ≤ 56.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

N,N,4,8,12-pentamethyltridecan-1-amine oxide
CID 58133406
methyl-tris(8-methylnonyl)azanium
CID 19958085
dimethyl-bis(16-methylheptadecyl)azanium chloride
CID 23440613
dimethyl-bis(7-methyloctyl)azanium chloride
CID 18689480
dimethyl-bis(6-methylheptyl)azanium chloride
CID 86159074
2,22-dimethyltricosane
CID 58100191
2,9-dimethyldecane;2,11-dimethyldodecane;2,8-dimethylnonane;2,7-dimethyloctane;2,10-dimethylundecane
CID 161261647
ethyl-dimethyl-(16-methylheptadecyl)azanium
CID 11965084
hexadecyl-dimethyl-(5-methylhexyl)azanium
CID 160742680
N,N,6-trimethylundec-9-en-1-amine oxide
CID 54461411
ethyl-tris(6-methylheptyl)azanium
CID 19849312
N,N-dimethyldecan-1-amine oxide;dihydrate
CID 22556484

Frequently Asked Questions

What is the IUPAC name of N,N,16-trimethylheptadecan-1-amine oxide?
The IUPAC name of N,N,16-trimethylheptadecan-1-amine oxide (CID 23129549) is N,N,16-trimethylheptadecan-1-amine oxide.
What is the SMILES notation for N,N,16-trimethylheptadecan-1-amine oxide?
The canonical SMILES for N,N,16-trimethylheptadecan-1-amine oxide is CC(C)CCCCCCCCCCCCCCC[N+](C)(C)[O-].
What is the InChIKey of N,N,16-trimethylheptadecan-1-amine oxide?
The InChIKey is GCYGTRJKQWZIPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H43NO/c1-20(2)18-16-14-12-10-8-6-5-7-9-11-13-15-17-19-21(3,4)22/h20H,5-19H2,1-4H3.
What are the key properties of N,N,16-trimethylheptadecan-1-amine oxide?
N,N,16-trimethylheptadecan-1-amine oxide has a molecular weight of 313.57 g/mol, XLogP of 6.68, 16 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,16-trimethylheptadecan-1-amine oxide is sourced from PubChem (CID 23129549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).