1-hydroxy-N,N-dimethyl-1-oxododecan-2-amine oxide

C14H29NO3 — CID 141398915

IUPAC1-hydroxy-N,N-dimethyl-1-oxododecan-2-amine oxide
SMILESCCCCCCCCCCC(C(=O)O)[N+](C)(C)[O-]
InChIInChI=1S/C14H29NO3/c1-4-5-6-7-8-9-10-11-12-13(14(16)17)15(2,3)18/h13H,4-12H2,1-3H3,(H,16,17)
InChIKeyRJCYPUCXFTVYQI-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.54
Rot. Bonds11

About 1-hydroxy-N,N-dimethyl-1-oxododecan-2-amine oxide

1-hydroxy-N,N-dimethyl-1-oxododecan-2-amine oxide (PubChem CID 141398915) has the molecular formula C14H29NO3 and a molecular weight of 259.39 g/mol. Its IUPAC name is 1-hydroxy-N,N-dimethyl-1-oxododecan-2-amine oxide.

Molecular Properties

Compound Name1-hydroxy-N,N-dimethyl-1-oxododecan-2-amine oxide
PubChem CID141398915
Molecular FormulaC14H29NO3
Molecular Weight259.39 g/mol
Exact Mass259.21
IUPAC Name1-hydroxy-N,N-dimethyl-1-oxododecan-2-amine oxide
SMILESCCCCCCCCCCC(C(=O)O)[N+](C)(C)[O-]
InChIInChI=1S/C14H29NO3/c1-4-5-6-7-8-9-10-11-12-13(14(16)17)15(2,3)18/h13H,4-12H2,1-3H3,(H,16,17)
InChIKeyRJCYPUCXFTVYQI-UHFFFAOYSA-N
XLogP3.54
TPSA60.36 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

1-carboxyoctadecyl(triethyl)azanium
CID 87851358
tributyl(1-carboxydodecyl)azanium
CID 87850876
2-iodotetradecanoic acid
CID 536352
2-dodecyl-3-(22-methyltricosyl)butanedioic acid
CID 139823859
2-nonacosylpropanedioic acid
CID 19851286
2-octylpropanedioic acid
CID 12972
2-icosylpropanedioic acid
CID 11582738
[(10Z,13Z)-1-carboxynonadeca-10,13-dienyl]-trimethylazanium
CID 90425088
N,N-dimethyltetradecan-3-amine oxide
CID 88695896
2-dodecyl-18-methyl-3-oxononadecanoic acid
CID 141083488
2-(5-methylhexanoyl)undecanoic acid
CID 174761458
2-hexylnonanoic acid
CID 18521424

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-N,N-dimethyl-1-oxododecan-2-amine oxide?
The IUPAC name of 1-hydroxy-N,N-dimethyl-1-oxododecan-2-amine oxide (CID 141398915) is 1-hydroxy-N,N-dimethyl-1-oxododecan-2-amine oxide.
What is the SMILES notation for 1-hydroxy-N,N-dimethyl-1-oxododecan-2-amine oxide?
The canonical SMILES for 1-hydroxy-N,N-dimethyl-1-oxododecan-2-amine oxide is CCCCCCCCCCC(C(=O)O)[N+](C)(C)[O-].
What is the InChIKey of 1-hydroxy-N,N-dimethyl-1-oxododecan-2-amine oxide?
The InChIKey is RJCYPUCXFTVYQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO3/c1-4-5-6-7-8-9-10-11-12-13(14(16)17)15(2,3)18/h13H,4-12H2,1-3H3,(H,16,17).
What are the key properties of 1-hydroxy-N,N-dimethyl-1-oxododecan-2-amine oxide?
1-hydroxy-N,N-dimethyl-1-oxododecan-2-amine oxide has a molecular weight of 259.39 g/mol, XLogP of 3.54, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-N,N-dimethyl-1-oxododecan-2-amine oxide is sourced from PubChem (CID 141398915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).