1-phenyl-N-(1-prop-2-enylcyclooctyl)methanimine oxide

C18H25NO — CID 10934569

IUPAC1-phenyl-N-(1-prop-2-enylcyclooctyl)methanimine oxide
SMILESC=CCC1(/[N+]([O-])=C/c2ccccc2)CCCCCCC1
InChIInChI=1S/C18H25NO/c1-2-13-18(14-9-4-3-5-10-15-18)19(20)16-17-11-7-6-8-12-17/h2,6-8,11-12,16H,1,3-5,9-10,13-15H2/b19-16-
InChIKeyHMMVOTBXILNQOW-MNDPQUGUSA-N
MW271.40 g/mol
LogP4.68
Rot. Bonds4

About 1-phenyl-N-(1-prop-2-enylcyclooctyl)methanimine oxide

1-phenyl-N-(1-prop-2-enylcyclooctyl)methanimine oxide (PubChem CID 10934569) has the molecular formula C18H25NO and a molecular weight of 271.40 g/mol. Its IUPAC name is 1-phenyl-N-(1-prop-2-enylcyclooctyl)methanimine oxide.

Molecular Properties

Compound Name1-phenyl-N-(1-prop-2-enylcyclooctyl)methanimine oxide
PubChem CID10934569
Molecular FormulaC18H25NO
Molecular Weight271.40 g/mol
Exact Mass271.19
IUPAC Name1-phenyl-N-(1-prop-2-enylcyclooctyl)methanimine oxide
SMILESC=CCC1(/[N+]([O-])=C/c2ccccc2)CCCCCCC1
InChIInChI=1S/C18H25NO/c1-2-13-18(14-9-4-3-5-10-15-18)19(20)16-17-11-7-6-8-12-17/h2,6-8,11-12,16H,1,3-5,9-10,13-15H2/b19-16-
InChIKeyHMMVOTBXILNQOW-MNDPQUGUSA-N
XLogP4.68
TPSA26.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-(1-prop-2-enylcyclooctyl)methanimine oxide?
The IUPAC name of 1-phenyl-N-(1-prop-2-enylcyclooctyl)methanimine oxide (CID 10934569) is 1-phenyl-N-(1-prop-2-enylcyclooctyl)methanimine oxide.
What is the SMILES notation for 1-phenyl-N-(1-prop-2-enylcyclooctyl)methanimine oxide?
The canonical SMILES for 1-phenyl-N-(1-prop-2-enylcyclooctyl)methanimine oxide is C=CCC1(/[N+]([O-])=C/c2ccccc2)CCCCCCC1.
What is the InChIKey of 1-phenyl-N-(1-prop-2-enylcyclooctyl)methanimine oxide?
The InChIKey is HMMVOTBXILNQOW-MNDPQUGUSA-N. The full InChI is InChI=1S/C18H25NO/c1-2-13-18(14-9-4-3-5-10-15-18)19(20)16-17-11-7-6-8-12-17/h2,6-8,11-12,16H,1,3-5,9-10,13-15H2/b19-16-.
What are the key properties of 1-phenyl-N-(1-prop-2-enylcyclooctyl)methanimine oxide?
1-phenyl-N-(1-prop-2-enylcyclooctyl)methanimine oxide has a molecular weight of 271.40 g/mol, XLogP of 4.68, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-(1-prop-2-enylcyclooctyl)methanimine oxide is sourced from PubChem (CID 10934569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).