N-methyl-N-tetradecylheptadecan-2-amine oxide

C32H67NO — CID 88638529

IUPACN-methyl-N-tetradecylheptadecan-2-amine oxide
SMILESCCCCCCCCCCCCCCCC(C)[N+](C)([O-])CCCCCCCCCCCCCC
InChIInChI=1S/C32H67NO/c1-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32(3)33(4,34)31-29-27-25-23-21-18-16-14-12-10-8-6-2/h32H,5-31H2,1-4H3
InChIKeyWGECZCSXEHMPIZ-UHFFFAOYSA-N
MW481.89 g/mol
LogP11.50
Rot. Bonds28

About N-methyl-N-tetradecylheptadecan-2-amine oxide

N-methyl-N-tetradecylheptadecan-2-amine oxide (PubChem CID 88638529) has the molecular formula C32H67NO and a molecular weight of 481.89 g/mol. Its IUPAC name is N-methyl-N-tetradecylheptadecan-2-amine oxide.

Molecular Properties

Compound NameN-methyl-N-tetradecylheptadecan-2-amine oxide
PubChem CID88638529
Molecular FormulaC32H67NO
Molecular Weight481.89 g/mol
Exact Mass481.52
IUPAC NameN-methyl-N-tetradecylheptadecan-2-amine oxide
SMILESCCCCCCCCCCCCCCCC(C)[N+](C)([O-])CCCCCCCCCCCCCC
InChIInChI=1S/C32H67NO/c1-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32(3)33(4,34)31-29-27-25-23-21-18-16-14-12-10-8-6-2/h32H,5-31H2,1-4H3
InChIKeyWGECZCSXEHMPIZ-UHFFFAOYSA-N
XLogP11.50
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds28
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.89
LogP ≤ 511.50
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

decyl-dimethyl-pentadecan-2-ylazanium
CID 88599864
decan-2-yl-dimethyl-pentadecylazanium
CID 87697488
heptadecan-2-yl-hexadecyl-dimethylazanium
CID 175181629
hexadecan-2-yl-hexadecyl-dimethylazanium chloride
CID 141338407
hexadecyl-hydroxy-methyl-octadecan-2-ylazanium
CID 23070330
docosan-2-yl(trimethyl)azanium
CID 141375855
dodecyl(trimethyl)azanium;trimethyl(tetradecan-2-yl)azanium;dibromide
CID 173166740
icosan-2-yl(trimethyl)azanium chloride
CID 139396717
decan-2-yl(trimethyl)azanium chloride
CID 174768597
methyl-tri(octan-2-yl)azanium chloride
CID 12783666
dodecyl-dihydroxy-tetradecan-2-ylazanium
CID 54272236
trimethyl(15-methyltricosyl)azanium
CID 23293385

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-tetradecylheptadecan-2-amine oxide?
The IUPAC name of N-methyl-N-tetradecylheptadecan-2-amine oxide (CID 88638529) is N-methyl-N-tetradecylheptadecan-2-amine oxide.
What is the SMILES notation for N-methyl-N-tetradecylheptadecan-2-amine oxide?
The canonical SMILES for N-methyl-N-tetradecylheptadecan-2-amine oxide is CCCCCCCCCCCCCCCC(C)[N+](C)([O-])CCCCCCCCCCCCCC.
What is the InChIKey of N-methyl-N-tetradecylheptadecan-2-amine oxide?
The InChIKey is WGECZCSXEHMPIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H67NO/c1-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32(3)33(4,34)31-29-27-25-23-21-18-16-14-12-10-8-6-2/h32H,5-31H2,1-4H3.
What are the key properties of N-methyl-N-tetradecylheptadecan-2-amine oxide?
N-methyl-N-tetradecylheptadecan-2-amine oxide has a molecular weight of 481.89 g/mol, XLogP of 11.50, 28 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-tetradecylheptadecan-2-amine oxide is sourced from PubChem (CID 88638529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).