(NE)-N-[1-[5-methyl-2-(4-methylpentoxy)phenyl]ethylidene]hydroxylamine

C15H23NO2 — CID 83157735

IUPAC(NE)-N-[1-[5-methyl-2-(4-methylpentoxy)phenyl]ethylidene]hydroxylamine
SMILESC/C(=N\O)c1cc(C)ccc1OCCCC(C)C
InChIInChI=1S/C15H23NO2/c1-11(2)6-5-9-18-15-8-7-12(3)10-14(15)13(4)16-17/h7-8,10-11,17H,5-6,9H2,1-4H3/b16-13+
InChIKeyPIYZYQUTVRNZLO-DTQAZKPQSA-N
MW249.35 g/mol
LogP4.01
Rot. Bonds6

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

(NE)-N-[1-[5-methyl-2-(4-methylpentoxy)phenyl]ethylidene]hydroxylamine (PubChem CID 83157735) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is (NE)-N-[1-[5-methyl-2-(4-methylpentoxy)phenyl]ethylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[1-[5-methyl-2-(4-methylpentoxy)phenyl]ethylidene]hydroxylamine
PubChem CID83157735
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name(NE)-N-[1-[5-methyl-2-(4-methylpentoxy)phenyl]ethylidene]hydroxylamine
SMILESC/C(=N\O)c1cc(C)ccc1OCCCC(C)C
InChIInChI=1S/C15H23NO2/c1-11(2)6-5-9-18-15-8-7-12(3)10-14(15)13(4)16-17/h7-8,10-11,17H,5-6,9H2,1-4H3/b16-13+
InChIKeyPIYZYQUTVRNZLO-DTQAZKPQSA-N
XLogP4.01
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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

3-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]-4-methylphenoxy]propan-1-ol
CID 98511673
(NE)-N-[1-(2-hexadecoxy-5-methylphenyl)ethylidene]hydroxylamine
CID 98298024
(NE)-N-[1-[5-methyl-2-(2-propan-2-ylsulfonylethoxy)phenyl]ethylidene]hydroxylamine
CID 106725527
N-[1-[2-(3-ethylsulfonylpropoxy)-5-methylphenyl]ethylidene]hydroxylamine
CID 77055461
3-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]-4-methylphenoxy]-N,N-dimethylpropanamide
CID 54878942
N-[1-[5-methyl-2-(2-phenylsulfanylethoxy)phenyl]ethylidene]hydroxylamine
CID 79227708
N-[1-(2-methoxy-5-methylphenyl)ethylidene]hydroxylamine
CID 74880473
N-[1-[2-(1-methoxypropan-2-yloxy)-5-methylphenyl]ethylidene]hydroxylamine
CID 77020729
N-[1-[5-methyl-2-(2-pyridin-3-ylethoxy)phenyl]ethylidene]hydroxylamine
CID 76991199
5-[2-(N-hydroxy-C-methylcarbonimidoyl)-5-methylphenoxy]pentan-1-ol
CID 77003699
(NE)-N-[1-[5-methyl-2-(thiophen-2-ylmethoxy)phenyl]ethylidene]hydroxylamine
CID 43504951
1-fluoro-4-methyl-2-(4-methylpentoxy)benzene
CID 83168254

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[1-[5-methyl-2-(4-methylpentoxy)phenyl]ethylidene]hydroxylamine?
The IUPAC name of (NE)-N-[1-[5-methyl-2-(4-methylpentoxy)phenyl]ethylidene]hydroxylamine (CID 83157735) is (NE)-N-[1-[5-methyl-2-(4-methylpentoxy)phenyl]ethylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[1-[5-methyl-2-(4-methylpentoxy)phenyl]ethylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[1-[5-methyl-2-(4-methylpentoxy)phenyl]ethylidene]hydroxylamine is C/C(=N\O)c1cc(C)ccc1OCCCC(C)C.
What is the InChIKey of (NE)-N-[1-[5-methyl-2-(4-methylpentoxy)phenyl]ethylidene]hydroxylamine?
The InChIKey is PIYZYQUTVRNZLO-DTQAZKPQSA-N. The full InChI is InChI=1S/C15H23NO2/c1-11(2)6-5-9-18-15-8-7-12(3)10-14(15)13(4)16-17/h7-8,10-11,17H,5-6,9H2,1-4H3/b16-13+.
What are the key properties of (NE)-N-[1-[5-methyl-2-(4-methylpentoxy)phenyl]ethylidene]hydroxylamine?
(NE)-N-[1-[5-methyl-2-(4-methylpentoxy)phenyl]ethylidene]hydroxylamine has a molecular weight of 249.35 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[1-[5-methyl-2-(4-methylpentoxy)phenyl]ethylidene]hydroxylamine is sourced from PubChem (CID 83157735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).