N-[1-[5-methyl-2-(4-methylcyclohexyl)oxyphenyl]ethylidene]hydroxylamine

C16H23NO2 — CID 77052870

IUPACN-[1-[5-methyl-2-(4-methylcyclohexyl)oxyphenyl]ethylidene]hydroxylamine
SMILESCC(=NO)c1cc(C)ccc1OC1CCC(C)CC1
InChIInChI=1S/C16H23NO2/c1-11-4-7-14(8-5-11)19-16-9-6-12(2)10-15(16)13(3)17-18/h6,9-11,14,18H,4-5,7-8H2,1-3H3
InChIKeyLHKNLSLOZBHAMT-UHFFFAOYSA-N
MW261.37 g/mol
LogP4.15
Rot. Bonds3

About N-[1-[5-methyl-2-(4-methylcyclohexyl)oxyphenyl]ethylidene]hydroxylamine

N-[1-[5-methyl-2-(4-methylcyclohexyl)oxyphenyl]ethylidene]hydroxylamine (PubChem CID 77052870) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is N-[1-[5-methyl-2-(4-methylcyclohexyl)oxyphenyl]ethylidene]hydroxylamine.

Molecular Properties

Compound NameN-[1-[5-methyl-2-(4-methylcyclohexyl)oxyphenyl]ethylidene]hydroxylamine
PubChem CID77052870
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC NameN-[1-[5-methyl-2-(4-methylcyclohexyl)oxyphenyl]ethylidene]hydroxylamine
SMILESCC(=NO)c1cc(C)ccc1OC1CCC(C)CC1
InChIInChI=1S/C16H23NO2/c1-11-4-7-14(8-5-11)19-16-9-6-12(2)10-15(16)13(3)17-18/h6,9-11,14,18H,4-5,7-8H2,1-3H3
InChIKeyLHKNLSLOZBHAMT-UHFFFAOYSA-N
XLogP4.15
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

(NZ)-N-[1-(2-cycloheptyloxy-5-methylphenyl)ethylidene]hydroxylamine
CID 82927238
N-[1-[5-methyl-2-(oxan-4-yloxy)phenyl]ethylidene]hydroxylamine
CID 77013728
(NE)-N-[1-(2-cyclopentyloxy-4-methylphenyl)ethylidene]hydroxylamine
CID 98566862
5-methyl-2-(4-methylcyclohexyl)oxybenzenecarboximidamide
CID 114017325
N-[1-(2-methoxy-5-methylphenyl)ethylidene]hydroxylamine
CID 74880473
(NE)-N-[1-(2-hexadecoxy-5-methylphenyl)ethylidene]hydroxylamine
CID 98298024
4-methyl-2-(4-methylcyclohexyl)oxyaniline
CID 64748056
1-(5-bromo-2-cyclopentyloxyphenyl)ethanone;N-[1-(5-bromo-2-cyclopentyloxyphenyl)ethylidene]hydroxylamine
CID 160524221
1-[2-(4-ethylcyclohexyl)oxy-5-methylphenyl]ethanone
CID 64748296
2-[5-methyl-2-(4-methylcyclohexyl)oxyphenyl]ethanamine
CID 64776286
3-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]-4-methylphenoxy]propan-1-ol
CID 98511673
2-(3,4-dimethylcyclohexyl)oxy-5-methylbenzenecarbothioamide
CID 107929610

Frequently Asked Questions

What is the IUPAC name of N-[1-[5-methyl-2-(4-methylcyclohexyl)oxyphenyl]ethylidene]hydroxylamine?
The IUPAC name of N-[1-[5-methyl-2-(4-methylcyclohexyl)oxyphenyl]ethylidene]hydroxylamine (CID 77052870) is N-[1-[5-methyl-2-(4-methylcyclohexyl)oxyphenyl]ethylidene]hydroxylamine.
What is the SMILES notation for N-[1-[5-methyl-2-(4-methylcyclohexyl)oxyphenyl]ethylidene]hydroxylamine?
The canonical SMILES for N-[1-[5-methyl-2-(4-methylcyclohexyl)oxyphenyl]ethylidene]hydroxylamine is CC(=NO)c1cc(C)ccc1OC1CCC(C)CC1.
What is the InChIKey of N-[1-[5-methyl-2-(4-methylcyclohexyl)oxyphenyl]ethylidene]hydroxylamine?
The InChIKey is LHKNLSLOZBHAMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-11-4-7-14(8-5-11)19-16-9-6-12(2)10-15(16)13(3)17-18/h6,9-11,14,18H,4-5,7-8H2,1-3H3.
What are the key properties of N-[1-[5-methyl-2-(4-methylcyclohexyl)oxyphenyl]ethylidene]hydroxylamine?
N-[1-[5-methyl-2-(4-methylcyclohexyl)oxyphenyl]ethylidene]hydroxylamine has a molecular weight of 261.37 g/mol, XLogP of 4.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-methyl-2-(4-methylcyclohexyl)oxyphenyl]ethylidene]hydroxylamine is sourced from PubChem (CID 77052870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).