N-cycloheptylmethanimine oxide

C8H15NO — CID 163654049

IUPACN-cycloheptylmethanimine oxide
SMILESC=[N+]([O-])C1CCCCCC1
InChIInChI=1S/C8H15NO/c1-9(10)8-6-4-2-3-5-7-8/h8H,1-7H2
InChIKeyIOQYZQVTHWGPKP-UHFFFAOYSA-N
MW141.21 g/mol
LogP1.92
Rot. Bonds1

About N-cycloheptylmethanimine oxide

N-cycloheptylmethanimine oxide (PubChem CID 163654049) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is N-cycloheptylmethanimine oxide.

Molecular Properties

Compound NameN-cycloheptylmethanimine oxide
PubChem CID163654049
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC NameN-cycloheptylmethanimine oxide
SMILESC=[N+]([O-])C1CCCCCC1
InChIInChI=1S/C8H15NO/c1-9(10)8-6-4-2-3-5-7-8/h8H,1-7H2
InChIKeyIOQYZQVTHWGPKP-UHFFFAOYSA-N
XLogP1.92
TPSA26.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'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

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di(cyclooctyl)azaniumylideneazanide
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1-cyano-N-cyclohexylmethanimine oxide
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1-fluoro-3-nitrocyclododecane
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cyclononylcycloicosane
CID 123187062
cyclohexylcycloheptane
CID 524589
(E)-N-cyclohexylbut-2-en-1-imine oxide
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cyclohexyl(trimethyl)azanium nitrate
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Frequently Asked Questions

What is the IUPAC name of N-cycloheptylmethanimine oxide?
The IUPAC name of N-cycloheptylmethanimine oxide (CID 163654049) is N-cycloheptylmethanimine oxide.
What is the SMILES notation for N-cycloheptylmethanimine oxide?
The canonical SMILES for N-cycloheptylmethanimine oxide is C=[N+]([O-])C1CCCCCC1.
What is the InChIKey of N-cycloheptylmethanimine oxide?
The InChIKey is IOQYZQVTHWGPKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-9(10)8-6-4-2-3-5-7-8/h8H,1-7H2.
What are the key properties of N-cycloheptylmethanimine oxide?
N-cycloheptylmethanimine oxide has a molecular weight of 141.21 g/mol, XLogP of 1.92, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptylmethanimine oxide is sourced from PubChem (CID 163654049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).