(Z)-N-[(Z)-octadec-9-enyl]octadec-9-en-1-amine oxide

C36H71NO — CID 139805928

IUPAC(Z)-N-[(Z)-octadec-9-enyl]octadec-9-en-1-amine oxide
SMILESCCCCCCCC/C=C\CCCCCCCC[NH+]([O-])CCCCCCCC/C=C\CCCCCCCC
InChIInChI=1S/C36H71NO/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37(38)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,37H,3-16,21-36H2,1-2H3/b19-17-,20-18-
InChIKeyQYWJKPPTDQRZEH-CLFAGFIQSA-N
MW533.97 g/mol
LogP11.44
Rot. Bonds32

About (Z)-N-[(Z)-octadec-9-enyl]octadec-9-en-1-amine oxide

(Z)-N-[(Z)-octadec-9-enyl]octadec-9-en-1-amine oxide (PubChem CID 139805928) has the molecular formula C36H71NO and a molecular weight of 533.97 g/mol. Its IUPAC name is (Z)-N-[(Z)-octadec-9-enyl]octadec-9-en-1-amine oxide.

Molecular Properties

Compound Name(Z)-N-[(Z)-octadec-9-enyl]octadec-9-en-1-amine oxide
PubChem CID139805928
Molecular FormulaC36H71NO
Molecular Weight533.97 g/mol
Exact Mass533.55
IUPAC Name(Z)-N-[(Z)-octadec-9-enyl]octadec-9-en-1-amine oxide
SMILESCCCCCCCC/C=C\CCCCCCCC[NH+]([O-])CCCCCCCC/C=C\CCCCCCCC
InChIInChI=1S/C36H71NO/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37(38)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,37H,3-16,21-36H2,1-2H3/b19-17-,20-18-
InChIKeyQYWJKPPTDQRZEH-CLFAGFIQSA-N
XLogP11.44
TPSA27.50 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds32
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.97
LogP ≤ 511.44
H-Bond Donors ≤ 51
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'}

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Related Compounds

N-propylpentadecan-1-amine oxide
CID 174870712
N-propyloctadecan-1-amine oxide
CID 87073468
(Z)-tricos-11-ene
CID 5356790
(E)-hexadec-6-ene
CID 5352260
(Z)-docos-9-ene
CID 11690102
(E)-hexacos-10-ene
CID 22172169
(E)-nonacos-10-ene
CID 14367300
triacont-12-ene
CID 54535715
(Z)-octadec-6-ene
CID 5352239
tetratriacont-8-ene
CID 123670593
(E)-icos-10-ene
CID 10468895
heptatriacont-13-ene
CID 71378710

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[(Z)-octadec-9-enyl]octadec-9-en-1-amine oxide?
The IUPAC name of (Z)-N-[(Z)-octadec-9-enyl]octadec-9-en-1-amine oxide (CID 139805928) is (Z)-N-[(Z)-octadec-9-enyl]octadec-9-en-1-amine oxide.
What is the SMILES notation for (Z)-N-[(Z)-octadec-9-enyl]octadec-9-en-1-amine oxide?
The canonical SMILES for (Z)-N-[(Z)-octadec-9-enyl]octadec-9-en-1-amine oxide is CCCCCCCC/C=C\CCCCCCCC[NH+]([O-])CCCCCCCC/C=C\CCCCCCCC.
What is the InChIKey of (Z)-N-[(Z)-octadec-9-enyl]octadec-9-en-1-amine oxide?
The InChIKey is QYWJKPPTDQRZEH-CLFAGFIQSA-N. The full InChI is InChI=1S/C36H71NO/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37(38)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,37H,3-16,21-36H2,1-2H3/b19-17-,20-18-.
What are the key properties of (Z)-N-[(Z)-octadec-9-enyl]octadec-9-en-1-amine oxide?
(Z)-N-[(Z)-octadec-9-enyl]octadec-9-en-1-amine oxide has a molecular weight of 533.97 g/mol, XLogP of 11.44, 32 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[(Z)-octadec-9-enyl]octadec-9-en-1-amine oxide is sourced from PubChem (CID 139805928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).