(NE)-N-[1-(2-cyclopentyloxy-4-methylphenyl)ethylidene]hydroxylamine

C14H19NO2 — CID 98566862

IUPAC(NE)-N-[1-(2-cyclopentyloxy-4-methylphenyl)ethylidene]hydroxylamine
SMILESC/C(=N\O)c1ccc(C)cc1OC1CCCC1
InChIInChI=1S/C14H19NO2/c1-10-7-8-13(11(2)15-16)14(9-10)17-12-5-3-4-6-12/h7-9,12,16H,3-6H2,1-2H3/b15-11+
InChIKeySNMUAWAHVVNJNQ-RVDMUPIBSA-N
MW233.31 g/mol
LogP3.51
Rot. Bonds3

About (NE)-N-[1-(2-cyclopentyloxy-4-methylphenyl)ethylidene]hydroxylamine

(NE)-N-[1-(2-cyclopentyloxy-4-methylphenyl)ethylidene]hydroxylamine (PubChem CID 98566862) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is (NE)-N-[1-(2-cyclopentyloxy-4-methylphenyl)ethylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[1-(2-cyclopentyloxy-4-methylphenyl)ethylidene]hydroxylamine
PubChem CID98566862
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name(NE)-N-[1-(2-cyclopentyloxy-4-methylphenyl)ethylidene]hydroxylamine
SMILESC/C(=N\O)c1ccc(C)cc1OC1CCCC1
InChIInChI=1S/C14H19NO2/c1-10-7-8-13(11(2)15-16)14(9-10)17-12-5-3-4-6-12/h7-9,12,16H,3-6H2,1-2H3/b15-11+
InChIKeySNMUAWAHVVNJNQ-RVDMUPIBSA-N
XLogP3.51
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 53.51
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
(NE)-N-[1-(2-cyclopentyloxy-4-methoxyphenyl)ethylidene]hydroxylamine
CID 82001227
N-[1-[5-methyl-2-(4-methylcyclohexyl)oxyphenyl]ethylidene]hydroxylamine
CID 77052870
2-cyclobutyloxy-4-methylbenzoic acid
CID 62700894
N-[1-[5-methyl-2-(oxan-4-yloxy)phenyl]ethylidene]hydroxylamine
CID 77013728
2-cyclopentyloxy-4-methylbenzenecarboximidamide
CID 62308845
2-cyclopentyloxy-1-methoxy-4-methylbenzene;ethane
CID 142884364
N-cyclopropyl-2-[2-(N-hydroxy-C-methylcarbonimidoyl)-5-methylphenoxy]propanamide
CID 77003528
2-[2-(N-hydroxy-C-methylcarbonimidoyl)-5-methylphenoxy]propanenitrile
CID 77003570
1-(5-bromo-2-cyclopentyloxyphenyl)ethanone;N-[1-(5-bromo-2-cyclopentyloxyphenyl)ethylidene]hydroxylamine
CID 160524221
1-(2-cyclopentyloxy-4-methylphenyl)ethanol
CID 63650282
(NE)-N-[1-[4-methyl-2-[(5-methyloxolan-2-yl)methoxy]phenyl]ethylidene]hydroxylamine
CID 103134762

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[1-(2-cyclopentyloxy-4-methylphenyl)ethylidene]hydroxylamine?
The IUPAC name of (NE)-N-[1-(2-cyclopentyloxy-4-methylphenyl)ethylidene]hydroxylamine (CID 98566862) is (NE)-N-[1-(2-cyclopentyloxy-4-methylphenyl)ethylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[1-(2-cyclopentyloxy-4-methylphenyl)ethylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[1-(2-cyclopentyloxy-4-methylphenyl)ethylidene]hydroxylamine is C/C(=N\O)c1ccc(C)cc1OC1CCCC1.
What is the InChIKey of (NE)-N-[1-(2-cyclopentyloxy-4-methylphenyl)ethylidene]hydroxylamine?
The InChIKey is SNMUAWAHVVNJNQ-RVDMUPIBSA-N. The full InChI is InChI=1S/C14H19NO2/c1-10-7-8-13(11(2)15-16)14(9-10)17-12-5-3-4-6-12/h7-9,12,16H,3-6H2,1-2H3/b15-11+.
What are the key properties of (NE)-N-[1-(2-cyclopentyloxy-4-methylphenyl)ethylidene]hydroxylamine?
(NE)-N-[1-(2-cyclopentyloxy-4-methylphenyl)ethylidene]hydroxylamine has a molecular weight of 233.31 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[1-(2-cyclopentyloxy-4-methylphenyl)ethylidene]hydroxylamine is sourced from PubChem (CID 98566862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).