N,N-dimethyltetradecan-3-amine oxide

C16H35NO — CID 88695896

IUPACN,N-dimethyltetradecan-3-amine oxide
SMILESCCCCCCCCCCCC(CC)[N+](C)(C)[O-]
InChIInChI=1S/C16H35NO/c1-5-7-8-9-10-11-12-13-14-15-16(6-2)17(3,4)18/h16H,5-15H2,1-4H3
InChIKeyXYIFBVFGAFFPGN-UHFFFAOYSA-N
MW257.46 g/mol
LogP5.26
Rot. Bonds12

About N,N-dimethyltetradecan-3-amine oxide

N,N-dimethyltetradecan-3-amine oxide (PubChem CID 88695896) has the molecular formula C16H35NO and a molecular weight of 257.46 g/mol. Its IUPAC name is N,N-dimethyltetradecan-3-amine oxide.

Molecular Properties

Compound NameN,N-dimethyltetradecan-3-amine oxide
PubChem CID88695896
Molecular FormulaC16H35NO
Molecular Weight257.46 g/mol
Exact Mass257.27
IUPAC NameN,N-dimethyltetradecan-3-amine oxide
SMILESCCCCCCCCCCCC(CC)[N+](C)(C)[O-]
InChIInChI=1S/C16H35NO/c1-5-7-8-9-10-11-12-13-14-15-16(6-2)17(3,4)18/h16H,5-15H2,1-4H3
InChIKeyXYIFBVFGAFFPGN-UHFFFAOYSA-N
XLogP5.26
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500257.46
LogP ≤ 55.26
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

docosan-3-yl(trimethyl)azanium chloride
CID 87279743
dimethyl-di(octan-3-yl)azanium
CID 155126039
dimethyl-octadecyl-octan-3-ylazanium
CID 22995160
hydroxy-dimethyl-tetradecan-3-ylazanium
CID 87744782
trimethyl(octadecan-9-yl)azanium chloride
CID 86184812
tris-decyl(dodecan-3-yl)azanium
CID 157450387
ethyl-dimethyl-octadecan-9-ylazanium
CID 21324513
dodecan-3-yl-diethyl-hydroxyazanium
CID 87744020
2-hydroxyethyl-methyl-di(octadecan-3-yl)azanium
CID 22993215
1-hydroxy-N,N-dimethyl-1-oxododecan-2-amine oxide
CID 141398915
decan-5-yl(trimethyl)azanium
CID 71390285
heptatriacontan-19-yl-methyl-dioctadecylazanium
CID 174891998

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyltetradecan-3-amine oxide?
The IUPAC name of N,N-dimethyltetradecan-3-amine oxide (CID 88695896) is N,N-dimethyltetradecan-3-amine oxide.
What is the SMILES notation for N,N-dimethyltetradecan-3-amine oxide?
The canonical SMILES for N,N-dimethyltetradecan-3-amine oxide is CCCCCCCCCCCC(CC)[N+](C)(C)[O-].
What is the InChIKey of N,N-dimethyltetradecan-3-amine oxide?
The InChIKey is XYIFBVFGAFFPGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35NO/c1-5-7-8-9-10-11-12-13-14-15-16(6-2)17(3,4)18/h16H,5-15H2,1-4H3.
What are the key properties of N,N-dimethyltetradecan-3-amine oxide?
N,N-dimethyltetradecan-3-amine oxide has a molecular weight of 257.46 g/mol, XLogP of 5.26, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyltetradecan-3-amine oxide is sourced from PubChem (CID 88695896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).