(NE)-N-[1-[4-methyl-2-[(5-methyloxolan-2-yl)methoxy]phenyl]ethylidene]hydroxylamine

C15H21NO3 — CID 103134762

IUPAC(NE)-N-[1-[4-methyl-2-[(5-methyloxolan-2-yl)methoxy]phenyl]ethylidene]hydroxylamine
SMILESC/C(=N\O)c1ccc(C)cc1OCC1CCC(C)O1
InChIInChI=1S/C15H21NO3/c1-10-4-7-14(12(3)16-17)15(8-10)18-9-13-6-5-11(2)19-13/h4,7-8,11,13,17H,5-6,9H2,1-3H3/b16-12+
InChIKeyFIQOWKZSBVGDRE-FOWTUZBSSA-N
MW263.34 g/mol
LogP3.14
Rot. Bonds4

About (NE)-N-[1-[4-methyl-2-[(5-methyloxolan-2-yl)methoxy]phenyl]ethylidene]hydroxylamine

(NE)-N-[1-[4-methyl-2-[(5-methyloxolan-2-yl)methoxy]phenyl]ethylidene]hydroxylamine (PubChem CID 103134762) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is (NE)-N-[1-[4-methyl-2-[(5-methyloxolan-2-yl)methoxy]phenyl]ethylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[1-[4-methyl-2-[(5-methyloxolan-2-yl)methoxy]phenyl]ethylidene]hydroxylamine
PubChem CID103134762
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name(NE)-N-[1-[4-methyl-2-[(5-methyloxolan-2-yl)methoxy]phenyl]ethylidene]hydroxylamine
SMILESC/C(=N\O)c1ccc(C)cc1OCC1CCC(C)O1
InChIInChI=1S/C15H21NO3/c1-10-4-7-14(12(3)16-17)15(8-10)18-9-13-6-5-11(2)19-13/h4,7-8,11,13,17H,5-6,9H2,1-3H3/b16-12+
InChIKeyFIQOWKZSBVGDRE-FOWTUZBSSA-N
XLogP3.14
TPSA51.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.14
H-Bond Donors ≤ 51
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

(NE)-N-[1-(2-cyclopentyloxy-4-methylphenyl)ethylidene]hydroxylamine
CID 98566862
1-[2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-5-methylphenoxy]-2-methylpropan-2-ol
CID 55245338
(NZ)-N-[1-[2-[(4-fluoro-2-methylphenyl)methoxy]-4-methylphenyl]ethylidene]hydroxylamine
CID 114346121
N'-hydroxy-4-methyl-2-(oxolan-2-ylmethoxy)benzenecarboximidamide
CID 62308507
(NE)-N-[1-[4-methoxy-2-(oxolan-2-ylmethoxy)phenyl]ethylidene]hydroxylamine
CID 82001539
5-[2-(N-hydroxy-C-methylcarbonimidoyl)-5-methylphenoxy]pentan-1-ol
CID 77003699
N-[1-[2-(2-ethoxyethoxy)-4-methylphenyl]ethylidene]hydroxylamine
CID 77003544
2-methyl-5-[(2-methylphenoxy)methyl]oxolane
CID 103141002
3-[2-(N-hydroxy-C-methylcarbonimidoyl)-5-methylphenoxy]-N,N-dimethylpropanamide
CID 77003549
2-[(5-fluoro-2-methylphenoxy)methyl]-5-methyloxolane
CID 103141088
2-(cyclopropylmethoxy)-N'-hydroxy-4-methylbenzenecarboximidamide
CID 76939071
N-[[5-methyl-2-[(5-methyloxolan-2-yl)methoxy]phenyl]methyl]propan-2-amine
CID 103133215

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[1-[4-methyl-2-[(5-methyloxolan-2-yl)methoxy]phenyl]ethylidene]hydroxylamine?
The IUPAC name of (NE)-N-[1-[4-methyl-2-[(5-methyloxolan-2-yl)methoxy]phenyl]ethylidene]hydroxylamine (CID 103134762) is (NE)-N-[1-[4-methyl-2-[(5-methyloxolan-2-yl)methoxy]phenyl]ethylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[1-[4-methyl-2-[(5-methyloxolan-2-yl)methoxy]phenyl]ethylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[1-[4-methyl-2-[(5-methyloxolan-2-yl)methoxy]phenyl]ethylidene]hydroxylamine is C/C(=N\O)c1ccc(C)cc1OCC1CCC(C)O1.
What is the InChIKey of (NE)-N-[1-[4-methyl-2-[(5-methyloxolan-2-yl)methoxy]phenyl]ethylidene]hydroxylamine?
The InChIKey is FIQOWKZSBVGDRE-FOWTUZBSSA-N. The full InChI is InChI=1S/C15H21NO3/c1-10-4-7-14(12(3)16-17)15(8-10)18-9-13-6-5-11(2)19-13/h4,7-8,11,13,17H,5-6,9H2,1-3H3/b16-12+.
What are the key properties of (NE)-N-[1-[4-methyl-2-[(5-methyloxolan-2-yl)methoxy]phenyl]ethylidene]hydroxylamine?
(NE)-N-[1-[4-methyl-2-[(5-methyloxolan-2-yl)methoxy]phenyl]ethylidene]hydroxylamine has a molecular weight of 263.34 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[1-[4-methyl-2-[(5-methyloxolan-2-yl)methoxy]phenyl]ethylidene]hydroxylamine is sourced from PubChem (CID 103134762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).