(NE)-N-[2-(2,3,4-trimethoxyphenyl)cyclohexylidene]hydroxylamine

C15H21NO4 — CID 5380531

IUPAC(NE)-N-[2-(2,3,4-trimethoxyphenyl)cyclohexylidene]hydroxylamine
SMILESCOc1ccc(C2CCCC/C2=N\O)c(OC)c1OC
InChIInChI=1S/C15H21NO4/c1-18-13-9-8-11(14(19-2)15(13)20-3)10-6-4-5-7-12(10)16-17/h8-10,17H,4-7H2,1-3H3/b16-12+
InChIKeyQBYKOVNREREDDF-FOWTUZBSSA-N
MW279.34 g/mol
LogP3.20
Rot. Bonds4

About (NE)-N-[2-(2,3,4-trimethoxyphenyl)cyclohexylidene]hydroxylamine

(NE)-N-[2-(2,3,4-trimethoxyphenyl)cyclohexylidene]hydroxylamine (PubChem CID 5380531) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is (NE)-N-[2-(2,3,4-trimethoxyphenyl)cyclohexylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[2-(2,3,4-trimethoxyphenyl)cyclohexylidene]hydroxylamine
PubChem CID5380531
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Name(NE)-N-[2-(2,3,4-trimethoxyphenyl)cyclohexylidene]hydroxylamine
SMILESCOc1ccc(C2CCCC/C2=N\O)c(OC)c1OC
InChIInChI=1S/C15H21NO4/c1-18-13-9-8-11(14(19-2)15(13)20-3)10-6-4-5-7-12(10)16-17/h8-10,17H,4-7H2,1-3H3/b16-12+
InChIKeyQBYKOVNREREDDF-FOWTUZBSSA-N
XLogP3.20
TPSA60.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

1,2-dimethoxy-5,6,7,8,9,10,11,12-octahydrobenzo[10]annulen-5-ol
CID 23730575
(NZ)-N-[2-(3-methoxyphenyl)cyclohexylidene]hydroxylamine
CID 6183979
N-[2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]cyclododecylidene]hydroxylamine
CID 4658554
(NE)-N-[(2R)-2-phenylcyclohexylidene]hydroxylamine
CID 98298121
2-(2,3,4-trimethoxyphenyl)cyclohexane-1-carboxamide
CID 56973896
2-(2,3,4-trimethoxyphenyl)azepane
CID 62543922
(2R)-2-(2,3,4-trimethoxyphenyl)piperidine;hydrochloride
CID 171195335
[(Z)-[(2S)-2-(2,4-dinitrophenyl)cyclohexylidene]amino] 3,4,5-trimethoxybenzoate
CID 40822605
5,6-dimethoxy-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid
CID 10561783
(NE)-N-(2-methoxycycloundecylidene)hydroxylamine
CID 87909315
3,4,5-trimethoxy-N-[(Z)-[(2R)-2-phenylcyclohexylidene]amino]benzamide
CID 8974483
1-cyclohexyl-N-methyl-1-(2,3,4-trimethoxyphenyl)methanamine
CID 43589052

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[2-(2,3,4-trimethoxyphenyl)cyclohexylidene]hydroxylamine?
The IUPAC name of (NE)-N-[2-(2,3,4-trimethoxyphenyl)cyclohexylidene]hydroxylamine (CID 5380531) is (NE)-N-[2-(2,3,4-trimethoxyphenyl)cyclohexylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[2-(2,3,4-trimethoxyphenyl)cyclohexylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[2-(2,3,4-trimethoxyphenyl)cyclohexylidene]hydroxylamine is COc1ccc(C2CCCC/C2=N\O)c(OC)c1OC.
What is the InChIKey of (NE)-N-[2-(2,3,4-trimethoxyphenyl)cyclohexylidene]hydroxylamine?
The InChIKey is QBYKOVNREREDDF-FOWTUZBSSA-N. The full InChI is InChI=1S/C15H21NO4/c1-18-13-9-8-11(14(19-2)15(13)20-3)10-6-4-5-7-12(10)16-17/h8-10,17H,4-7H2,1-3H3/b16-12+.
What are the key properties of (NE)-N-[2-(2,3,4-trimethoxyphenyl)cyclohexylidene]hydroxylamine?
(NE)-N-[2-(2,3,4-trimethoxyphenyl)cyclohexylidene]hydroxylamine has a molecular weight of 279.34 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[2-(2,3,4-trimethoxyphenyl)cyclohexylidene]hydroxylamine is sourced from PubChem (CID 5380531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).