(NE)-N-[6-(2,4-dichlorophenyl)hexylidene]hydroxylamine

C12H15Cl2NO — CID 10801290

IUPAC(NE)-N-[6-(2,4-dichlorophenyl)hexylidene]hydroxylamine
SMILESO/N=C/CCCCCc1ccc(Cl)cc1Cl
InChIInChI=1S/C12H15Cl2NO/c13-11-7-6-10(12(14)9-11)5-3-1-2-4-8-15-16/h6-9,16H,1-5H2/b15-8+
InChIKeyIRMJRMPGLRWCHR-OVCLIPMQSA-N
MW260.16 g/mol
LogP4.56
Rot. Bonds6

About (NE)-N-[6-(2,4-dichlorophenyl)hexylidene]hydroxylamine

(NE)-N-[6-(2,4-dichlorophenyl)hexylidene]hydroxylamine (PubChem CID 10801290) has the molecular formula C12H15Cl2NO and a molecular weight of 260.16 g/mol. Its IUPAC name is (NE)-N-[6-(2,4-dichlorophenyl)hexylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[6-(2,4-dichlorophenyl)hexylidene]hydroxylamine
PubChem CID10801290
Molecular FormulaC12H15Cl2NO
Molecular Weight260.16 g/mol
Exact Mass259.05
IUPAC Name(NE)-N-[6-(2,4-dichlorophenyl)hexylidene]hydroxylamine
SMILESO/N=C/CCCCCc1ccc(Cl)cc1Cl
InChIInChI=1S/C12H15Cl2NO/c13-11-7-6-10(12(14)9-11)5-3-1-2-4-8-15-16/h6-9,16H,1-5H2/b15-8+
InChIKeyIRMJRMPGLRWCHR-OVCLIPMQSA-N
XLogP4.56
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.16
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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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Frequently Asked Questions

What is the IUPAC name of (NE)-N-[6-(2,4-dichlorophenyl)hexylidene]hydroxylamine?
The IUPAC name of (NE)-N-[6-(2,4-dichlorophenyl)hexylidene]hydroxylamine (CID 10801290) is (NE)-N-[6-(2,4-dichlorophenyl)hexylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[6-(2,4-dichlorophenyl)hexylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[6-(2,4-dichlorophenyl)hexylidene]hydroxylamine is O/N=C/CCCCCc1ccc(Cl)cc1Cl.
What is the InChIKey of (NE)-N-[6-(2,4-dichlorophenyl)hexylidene]hydroxylamine?
The InChIKey is IRMJRMPGLRWCHR-OVCLIPMQSA-N. The full InChI is InChI=1S/C12H15Cl2NO/c13-11-7-6-10(12(14)9-11)5-3-1-2-4-8-15-16/h6-9,16H,1-5H2/b15-8+.
What are the key properties of (NE)-N-[6-(2,4-dichlorophenyl)hexylidene]hydroxylamine?
(NE)-N-[6-(2,4-dichlorophenyl)hexylidene]hydroxylamine has a molecular weight of 260.16 g/mol, XLogP of 4.56, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[6-(2,4-dichlorophenyl)hexylidene]hydroxylamine is sourced from PubChem (CID 10801290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).