1-cyano-N-cyclohexylmethanimine oxide

C8H12N2O — CID 129104515

IUPAC1-cyano-N-cyclohexylmethanimine oxide
SMILESN#C/C=[N+](/[O-])C1CCCCC1
InChIInChI=1S/C8H12N2O/c9-6-7-10(11)8-4-2-1-3-5-8/h7-8H,1-5H2/b10-7+
InChIKeyZTUKMHFHZCIELZ-JXMROGBWSA-N
MW152.20 g/mol
LogP1.42
Rot. Bonds1

About 1-cyano-N-cyclohexylmethanimine oxide

1-cyano-N-cyclohexylmethanimine oxide (PubChem CID 129104515) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is 1-cyano-N-cyclohexylmethanimine oxide.

Molecular Properties

Compound Name1-cyano-N-cyclohexylmethanimine oxide
PubChem CID129104515
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name1-cyano-N-cyclohexylmethanimine oxide
SMILESN#C/C=[N+](/[O-])C1CCCCC1
InChIInChI=1S/C8H12N2O/c9-6-7-10(11)8-4-2-1-3-5-8/h7-8H,1-5H2/b10-7+
InChIKeyZTUKMHFHZCIELZ-JXMROGBWSA-N
XLogP1.42
TPSA49.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

(E)-N-cyclohexylbut-2-en-1-imine oxide
CID 91998766
N-cycloheptylmethanimine oxide
CID 163654049
aluminum tris((Z)-cyclohexyl-oxido-oxidoiminoazanium)
CID 137290047
(Z)-3-cycloheptylprop-2-enenitrile
CID 11636824
calcium;(E)-cyclohexyl-oxido-oxidoiminoazanium;(Z)-cyclohexyl-oxido-oxidoiminoazanium
CID 137095478
2-cyclohexylpropanedinitrile
CID 11171058
cyclooctanecarbonitrile
CID 13075060
di(cyclooctyl)azaniumylideneazanide
CID 18361652
1-fluoro-3-nitrocyclododecane
CID 67108206
2-cyclohexylpropanedinitrile;methane
CID 142914800
2-[2-(nitromethyl)cyclohexyl]acetonitrile
CID 69423870
cyclohexylcycloheptane
CID 524589

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-cyclohexylmethanimine oxide?
The IUPAC name of 1-cyano-N-cyclohexylmethanimine oxide (CID 129104515) is 1-cyano-N-cyclohexylmethanimine oxide.
What is the SMILES notation for 1-cyano-N-cyclohexylmethanimine oxide?
The canonical SMILES for 1-cyano-N-cyclohexylmethanimine oxide is N#C/C=[N+](/[O-])C1CCCCC1.
What is the InChIKey of 1-cyano-N-cyclohexylmethanimine oxide?
The InChIKey is ZTUKMHFHZCIELZ-JXMROGBWSA-N. The full InChI is InChI=1S/C8H12N2O/c9-6-7-10(11)8-4-2-1-3-5-8/h7-8H,1-5H2/b10-7+.
What are the key properties of 1-cyano-N-cyclohexylmethanimine oxide?
1-cyano-N-cyclohexylmethanimine oxide has a molecular weight of 152.20 g/mol, XLogP of 1.42, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-cyclohexylmethanimine oxide is sourced from PubChem (CID 129104515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).