(NE)-N-[4-[4-(4-methylpentoxy)phenyl]butan-2-ylidene]hydroxylamine

C16H25NO2 — CID 83159110

IUPAC(NE)-N-[4-[4-(4-methylpentoxy)phenyl]butan-2-ylidene]hydroxylamine
SMILESC/C(CCc1ccc(OCCCC(C)C)cc1)=N\O
InChIInChI=1S/C16H25NO2/c1-13(2)5-4-12-19-16-10-8-15(9-11-16)7-6-14(3)17-18/h8-11,13,18H,4-7,12H2,1-3H3/b17-14+
InChIKeyLHZHMSAIRVFAAM-SAPNQHFASA-N
MW263.38 g/mol
LogP4.28
Rot. Bonds8

About (NE)-N-[4-[4-(4-methylpentoxy)phenyl]butan-2-ylidene]hydroxylamine

(NE)-N-[4-[4-(4-methylpentoxy)phenyl]butan-2-ylidene]hydroxylamine (PubChem CID 83159110) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is (NE)-N-[4-[4-(4-methylpentoxy)phenyl]butan-2-ylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[4-[4-(4-methylpentoxy)phenyl]butan-2-ylidene]hydroxylamine
PubChem CID83159110
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name(NE)-N-[4-[4-(4-methylpentoxy)phenyl]butan-2-ylidene]hydroxylamine
SMILESC/C(CCc1ccc(OCCCC(C)C)cc1)=N\O
InChIInChI=1S/C16H25NO2/c1-13(2)5-4-12-19-16-10-8-15(9-11-16)7-6-14(3)17-18/h8-11,13,18H,4-7,12H2,1-3H3/b17-14+
InChIKeyLHZHMSAIRVFAAM-SAPNQHFASA-N
XLogP4.28
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 54.28
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

4-[4-(3-hydroxyiminobutyl)phenoxy]butan-1-ol
CID 76917502
(NE)-N-[4-[4-(3-methoxypropoxy)phenyl]butan-2-ylidene]hydroxylamine
CID 54936027
(NE)-N-[4-[4-[2-(dimethylamino)ethoxy]phenyl]butan-2-ylidene]hydroxylamine
CID 24707329
3-[4-(3-hydroxyiminobutyl)phenoxy]-N-propan-2-ylpropanamide
CID 76947263
N-[4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]butan-2-ylidene]hydroxylamine
CID 76905275
2-[4-[(3E)-3-hydroxyiminobutyl]phenoxy]propan-1-ol
CID 114266726
4-[4-(3-hydroxyiminobutyl)phenoxy]-2,2-dimethylbutanenitrile
CID 77062862
2-[4-[(3E)-3-hydroxyiminobutyl]phenoxy]-N-propan-2-ylacetamide
CID 24708762
methyl 3-[4-(11-methyldodecoxy)phenyl]propanoate
CID 15616993
3-[4-(3-methylbutoxy)phenyl]propanoic acid
CID 167220539
2-[4-(3-hydroxyiminobutyl)phenoxy]propanenitrile
CID 76915200
(NZ)-N-[4-(4-phenoxyphenyl)butan-2-ylidene]hydroxylamine
CID 21296282

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[4-[4-(4-methylpentoxy)phenyl]butan-2-ylidene]hydroxylamine?
The IUPAC name of (NE)-N-[4-[4-(4-methylpentoxy)phenyl]butan-2-ylidene]hydroxylamine (CID 83159110) is (NE)-N-[4-[4-(4-methylpentoxy)phenyl]butan-2-ylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[4-[4-(4-methylpentoxy)phenyl]butan-2-ylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[4-[4-(4-methylpentoxy)phenyl]butan-2-ylidene]hydroxylamine is C/C(CCc1ccc(OCCCC(C)C)cc1)=N\O.
What is the InChIKey of (NE)-N-[4-[4-(4-methylpentoxy)phenyl]butan-2-ylidene]hydroxylamine?
The InChIKey is LHZHMSAIRVFAAM-SAPNQHFASA-N. The full InChI is InChI=1S/C16H25NO2/c1-13(2)5-4-12-19-16-10-8-15(9-11-16)7-6-14(3)17-18/h8-11,13,18H,4-7,12H2,1-3H3/b17-14+.
What are the key properties of (NE)-N-[4-[4-(4-methylpentoxy)phenyl]butan-2-ylidene]hydroxylamine?
(NE)-N-[4-[4-(4-methylpentoxy)phenyl]butan-2-ylidene]hydroxylamine has a molecular weight of 263.38 g/mol, XLogP of 4.28, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[4-[4-(4-methylpentoxy)phenyl]butan-2-ylidene]hydroxylamine is sourced from PubChem (CID 83159110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).