(NE)-N-[(2E)-2-propan-2-yloxyiminocyclohexylidene]hydroxylamine

C9H16N2O2 — CID 135789688

IUPAC(NE)-N-[(2E)-2-propan-2-yloxyiminocyclohexylidene]hydroxylamine
SMILESCC(C)O/N=C1\CCCC\C1=N/O
InChIInChI=1S/C9H16N2O2/c1-7(2)13-11-9-6-4-3-5-8(9)10-12/h7,12H,3-6H2,1-2H3/b10-8+,11-9+
InChIKeyGPSLACBYGXFCRW-GFULKKFKSA-N
MW184.24 g/mol
LogP2.17
Rot. Bonds2

About (NE)-N-[(2E)-2-propan-2-yloxyiminocyclohexylidene]hydroxylamine

(NE)-N-[(2E)-2-propan-2-yloxyiminocyclohexylidene]hydroxylamine (PubChem CID 135789688) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is (NE)-N-[(2E)-2-propan-2-yloxyiminocyclohexylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(2E)-2-propan-2-yloxyiminocyclohexylidene]hydroxylamine
PubChem CID135789688
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name(NE)-N-[(2E)-2-propan-2-yloxyiminocyclohexylidene]hydroxylamine
SMILESCC(C)O/N=C1\CCCC\C1=N/O
InChIInChI=1S/C9H16N2O2/c1-7(2)13-11-9-6-4-3-5-8(9)10-12/h7,12H,3-6H2,1-2H3/b10-8+,11-9+
InChIKeyGPSLACBYGXFCRW-GFULKKFKSA-N
XLogP2.17
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'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

cyclohexanone O-(sec-butyl) oxime
CID 91826114
1-(Cyclohexylideneamino)oxypropan-2-ol
CID 19888981
N-propoxycyclohexanimine
CID 20494551
N-propan-2-yloxycyclohexanimine
CID 23466974
N-cyclohexylidenehydroxylamine;ethoxyethane
CID 87493453
N-cyclohexylidenehydroxylamine;ethanol
CID 87990320
2-(Cyclohexylideneamino)oxypropan-1-ol
CID 139771330
ethane;N-ethoxycyclohexanimine
CID 143171429
CID 159472026
CID 159472026
N-cyclohexylidenehydroxylamine;propan-2-ol
CID 175240133
N-(4-pentan-3-yloxycyclohexylidene)hydroxylamine
CID 104456093
N-(4-butan-2-yloxycyclohexylidene)hydroxylamine
CID 104456111

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[(2E)-2-propan-2-yloxyiminocyclohexylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(2E)-2-propan-2-yloxyiminocyclohexylidene]hydroxylamine (CID 135789688) is (NE)-N-[(2E)-2-propan-2-yloxyiminocyclohexylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(2E)-2-propan-2-yloxyiminocyclohexylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(2E)-2-propan-2-yloxyiminocyclohexylidene]hydroxylamine is CC(C)O/N=C1\CCCC\C1=N/O.
What is the InChIKey of (NE)-N-[(2E)-2-propan-2-yloxyiminocyclohexylidene]hydroxylamine?
The InChIKey is GPSLACBYGXFCRW-GFULKKFKSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-7(2)13-11-9-6-4-3-5-8(9)10-12/h7,12H,3-6H2,1-2H3/b10-8+,11-9+.
What are the key properties of (NE)-N-[(2E)-2-propan-2-yloxyiminocyclohexylidene]hydroxylamine?
(NE)-N-[(2E)-2-propan-2-yloxyiminocyclohexylidene]hydroxylamine has a molecular weight of 184.24 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(2E)-2-propan-2-yloxyiminocyclohexylidene]hydroxylamine is sourced from PubChem (CID 135789688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).