N-pentadecylnonadecan-1-imine oxide

C34H69NO — CID 87184574

IUPACN-pentadecylnonadecan-1-imine oxide
SMILESCCCCCCCCCCCCCCCCCCC=[N+]([O-])CCCCCCCCCCCCCCC
InChIInChI=1S/C34H69NO/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-35(36)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h34H,3-33H2,1-2H3
InChIKeyYKXXARPLUYXKCY-UHFFFAOYSA-N
MW507.93 g/mol
LogP12.31
Rot. Bonds31

About N-pentadecylnonadecan-1-imine oxide

N-pentadecylnonadecan-1-imine oxide (PubChem CID 87184574) has the molecular formula C34H69NO and a molecular weight of 507.93 g/mol. Its IUPAC name is N-pentadecylnonadecan-1-imine oxide.

Molecular Properties

Compound NameN-pentadecylnonadecan-1-imine oxide
PubChem CID87184574
Molecular FormulaC34H69NO
Molecular Weight507.93 g/mol
Exact Mass507.54
IUPAC NameN-pentadecylnonadecan-1-imine oxide
SMILESCCCCCCCCCCCCCCCCCCC=[N+]([O-])CCCCCCCCCCCCCCC
InChIInChI=1S/C34H69NO/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-35(36)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h34H,3-33H2,1-2H3
InChIKeyYKXXARPLUYXKCY-UHFFFAOYSA-N
XLogP12.31
TPSA26.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds31
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.93
LogP ≤ 512.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

N-octyloctadecan-1-imine oxide
CID 139612531
N-hexadecyloctadecan-1-imine oxide
CID 85061189
(N'Z)-N'-heptylidene-N-[7-[(Z)-[(7E)-7-hydroxyiminoheptylidene]-oxidoazaniumyl]heptyl]heptane-1,7-diimine oxide
CID 177447848
N-dodecylmethanimine oxide
CID 174690762
1-nitrotriacontane
CID 154217337
N-[tert-butyl(dimethyl)silyl]oxyhexan-1-imine oxide
CID 12731070
heptane;zirconium
CID 159449678
octadecyl-octadecylidene-phenylazanium
CID 154691565
(5E,8E,11E,14E)-1-nitroicosa-5,8,11,14-tetraene
CID 22344840
(Z)-docos-9-ene
CID 11690102
triacont-12-ene
CID 54535715
(Z)-octadec-6-ene
CID 5352239

Frequently Asked Questions

What is the IUPAC name of N-pentadecylnonadecan-1-imine oxide?
The IUPAC name of N-pentadecylnonadecan-1-imine oxide (CID 87184574) is N-pentadecylnonadecan-1-imine oxide.
What is the SMILES notation for N-pentadecylnonadecan-1-imine oxide?
The canonical SMILES for N-pentadecylnonadecan-1-imine oxide is CCCCCCCCCCCCCCCCCCC=[N+]([O-])CCCCCCCCCCCCCCC.
What is the InChIKey of N-pentadecylnonadecan-1-imine oxide?
The InChIKey is YKXXARPLUYXKCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H69NO/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-35(36)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h34H,3-33H2,1-2H3.
What are the key properties of N-pentadecylnonadecan-1-imine oxide?
N-pentadecylnonadecan-1-imine oxide has a molecular weight of 507.93 g/mol, XLogP of 12.31, 31 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentadecylnonadecan-1-imine oxide is sourced from PubChem (CID 87184574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).