(Z)-N,N-dimethyloctadec-9-en-1-amine oxide

C20H41NO — CID 6435847

IUPAC(Z)-N,N-dimethyloctadec-9-en-1-amine oxide
SMILESCCCCCCCC/C=C\CCCCCCCC[N+](C)(C)[O-]
InChIInChI=1S/C20H41NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(2,3)22/h11-12H,4-10,13-20H2,1-3H3/b12-11-
InChIKeyQCTZUSWOKFCWNB-QXMHVHEDSA-N
MW311.55 g/mol
LogP6.60
Rot. Bonds16

About (Z)-N,N-dimethyloctadec-9-en-1-amine oxide

(Z)-N,N-dimethyloctadec-9-en-1-amine oxide (PubChem CID 6435847) has the molecular formula C20H41NO and a molecular weight of 311.55 g/mol. Its IUPAC name is (Z)-N,N-dimethyloctadec-9-en-1-amine oxide.

Molecular Properties

Compound Name(Z)-N,N-dimethyloctadec-9-en-1-amine oxide
PubChem CID6435847
Molecular FormulaC20H41NO
Molecular Weight311.55 g/mol
Exact Mass311.32
IUPAC Name(Z)-N,N-dimethyloctadec-9-en-1-amine oxide
SMILESCCCCCCCC/C=C\CCCCCCCC[N+](C)(C)[O-]
InChIInChI=1S/C20H41NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(2,3)22/h11-12H,4-10,13-20H2,1-3H3/b12-11-
InChIKeyQCTZUSWOKFCWNB-QXMHVHEDSA-N
XLogP6.60
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.55
LogP ≤ 56.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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 (Z)-N,N-dimethyloctadec-9-en-1-amine oxide?
The IUPAC name of (Z)-N,N-dimethyloctadec-9-en-1-amine oxide (CID 6435847) is (Z)-N,N-dimethyloctadec-9-en-1-amine oxide.
What is the SMILES notation for (Z)-N,N-dimethyloctadec-9-en-1-amine oxide?
The canonical SMILES for (Z)-N,N-dimethyloctadec-9-en-1-amine oxide is CCCCCCCC/C=C\CCCCCCCC[N+](C)(C)[O-].
What is the InChIKey of (Z)-N,N-dimethyloctadec-9-en-1-amine oxide?
The InChIKey is QCTZUSWOKFCWNB-QXMHVHEDSA-N. The full InChI is InChI=1S/C20H41NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(2,3)22/h11-12H,4-10,13-20H2,1-3H3/b12-11-.
What are the key properties of (Z)-N,N-dimethyloctadec-9-en-1-amine oxide?
(Z)-N,N-dimethyloctadec-9-en-1-amine oxide has a molecular weight of 311.55 g/mol, XLogP of 6.60, 16 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N,N-dimethyloctadec-9-en-1-amine oxide is sourced from PubChem (CID 6435847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).