2-decyl-N,N-dimethyltetradecan-1-amine oxide

C26H55NO — CID 11014808

IUPAC2-decyl-N,N-dimethyltetradecan-1-amine oxide
SMILESCCCCCCCCCCCCC(CCCCCCCCCC)C[N+](C)(C)[O-]
InChIInChI=1S/C26H55NO/c1-5-7-9-11-13-15-16-18-20-22-24-26(25-27(3,4)28)23-21-19-17-14-12-10-8-6-2/h26H,5-25H2,1-4H3
InChIKeyNIFPWUCDSCRTCA-UHFFFAOYSA-N
MW397.73 g/mol
LogP9.02
Rot. Bonds22

About 2-decyl-N,N-dimethyltetradecan-1-amine oxide

2-decyl-N,N-dimethyltetradecan-1-amine oxide (PubChem CID 11014808) has the molecular formula C26H55NO and a molecular weight of 397.73 g/mol. Its IUPAC name is 2-decyl-N,N-dimethyltetradecan-1-amine oxide.

Molecular Properties

Compound Name2-decyl-N,N-dimethyltetradecan-1-amine oxide
PubChem CID11014808
Molecular FormulaC26H55NO
Molecular Weight397.73 g/mol
Exact Mass397.43
IUPAC Name2-decyl-N,N-dimethyltetradecan-1-amine oxide
SMILESCCCCCCCCCCCCC(CCCCCCCCCC)C[N+](C)(C)[O-]
InChIInChI=1S/C26H55NO/c1-5-7-9-11-13-15-16-18-20-22-24-26(25-27(3,4)28)23-21-19-17-14-12-10-8-6-2/h26H,5-25H2,1-4H3
InChIKeyNIFPWUCDSCRTCA-UHFFFAOYSA-N
XLogP9.02
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds22
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.73
LogP ≤ 59.02
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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Frequently Asked Questions

What is the IUPAC name of 2-decyl-N,N-dimethyltetradecan-1-amine oxide?
The IUPAC name of 2-decyl-N,N-dimethyltetradecan-1-amine oxide (CID 11014808) is 2-decyl-N,N-dimethyltetradecan-1-amine oxide.
What is the SMILES notation for 2-decyl-N,N-dimethyltetradecan-1-amine oxide?
The canonical SMILES for 2-decyl-N,N-dimethyltetradecan-1-amine oxide is CCCCCCCCCCCCC(CCCCCCCCCC)C[N+](C)(C)[O-].
What is the InChIKey of 2-decyl-N,N-dimethyltetradecan-1-amine oxide?
The InChIKey is NIFPWUCDSCRTCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H55NO/c1-5-7-9-11-13-15-16-18-20-22-24-26(25-27(3,4)28)23-21-19-17-14-12-10-8-6-2/h26H,5-25H2,1-4H3.
What are the key properties of 2-decyl-N,N-dimethyltetradecan-1-amine oxide?
2-decyl-N,N-dimethyltetradecan-1-amine oxide has a molecular weight of 397.73 g/mol, XLogP of 9.02, 22 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-decyl-N,N-dimethyltetradecan-1-amine oxide is sourced from PubChem (CID 11014808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).