(NE)-N-[(5E)-5-hydroxyimino-3,3-dimethylcyclohexylidene]hydroxylamine

C8H14N2O2 — CID 5380925

IUPAC(NE)-N-[(5E)-5-hydroxyimino-3,3-dimethylcyclohexylidene]hydroxylamine
SMILESCC1(C)C/C(=N\O)C/C(=N/O)C1
InChIInChI=1S/C8H14N2O2/c1-8(2)4-6(9-11)3-7(5-8)10-12/h11-12H,3-5H2,1-2H3/b9-6-,10-7-
InChIKeyINCDZDUOXAORNG-LFPVQMOXSA-N
MW170.21 g/mol
LogP1.86
Rot. Bonds

About (NE)-N-[(5E)-5-hydroxyimino-3,3-dimethylcyclohexylidene]hydroxylamine

(NE)-N-[(5E)-5-hydroxyimino-3,3-dimethylcyclohexylidene]hydroxylamine (PubChem CID 5380925) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is (NE)-N-[(5E)-5-hydroxyimino-3,3-dimethylcyclohexylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(5E)-5-hydroxyimino-3,3-dimethylcyclohexylidene]hydroxylamine
PubChem CID5380925
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC Name(NE)-N-[(5E)-5-hydroxyimino-3,3-dimethylcyclohexylidene]hydroxylamine
SMILESCC1(C)C/C(=N\O)C/C(=N/O)C1
InChIInChI=1S/C8H14N2O2/c1-8(2)4-6(9-11)3-7(5-8)10-12/h11-12H,3-5H2,1-2H3/b9-6-,10-7-
InChIKeyINCDZDUOXAORNG-LFPVQMOXSA-N
XLogP1.86
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

CID 135432349
CID 135432349
CID 348405
CID 348405
CID 9562412
CID 9562412
CID 135527135
CID 135527135
CID 223594
CID 223594
CID 6029164
CID 6029164
CID 9562213
CID 9562213
CID 171384581
CID 171384581
CID 13552360
CID 13552360
CID 267754
CID 267754
CID 59458263
CID 59458263
CID 59910032
CID 59910032

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[(5E)-5-hydroxyimino-3,3-dimethylcyclohexylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(5E)-5-hydroxyimino-3,3-dimethylcyclohexylidene]hydroxylamine (CID 5380925) is (NE)-N-[(5E)-5-hydroxyimino-3,3-dimethylcyclohexylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(5E)-5-hydroxyimino-3,3-dimethylcyclohexylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(5E)-5-hydroxyimino-3,3-dimethylcyclohexylidene]hydroxylamine is CC1(C)C/C(=N\O)C/C(=N/O)C1.
What is the InChIKey of (NE)-N-[(5E)-5-hydroxyimino-3,3-dimethylcyclohexylidene]hydroxylamine?
The InChIKey is INCDZDUOXAORNG-LFPVQMOXSA-N. The full InChI is InChI=1S/C8H14N2O2/c1-8(2)4-6(9-11)3-7(5-8)10-12/h11-12H,3-5H2,1-2H3/b9-6-,10-7-.
What are the key properties of (NE)-N-[(5E)-5-hydroxyimino-3,3-dimethylcyclohexylidene]hydroxylamine?
(NE)-N-[(5E)-5-hydroxyimino-3,3-dimethylcyclohexylidene]hydroxylamine has a molecular weight of 170.21 g/mol, XLogP of 1.86, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(5E)-5-hydroxyimino-3,3-dimethylcyclohexylidene]hydroxylamine is sourced from PubChem (CID 5380925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).