N-[4-(3,4-dichlorophenyl)-3,3-dimethylbutylidene]hydroxylamine

C12H15Cl2NO — CID 173396921

IUPACN-[4-(3,4-dichlorophenyl)-3,3-dimethylbutylidene]hydroxylamine
SMILESCC(C)(CC=NO)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H15Cl2NO/c1-12(2,5-6-15-16)8-9-3-4-10(13)11(14)7-9/h3-4,6-7,16H,5,8H2,1-2H3
InChIKeyJWCOUEXYHHDQSM-UHFFFAOYSA-N
MW260.16 g/mol
LogP4.41
Rot. Bonds4

About N-[4-(3,4-dichlorophenyl)-3,3-dimethylbutylidene]hydroxylamine

N-[4-(3,4-dichlorophenyl)-3,3-dimethylbutylidene]hydroxylamine (PubChem CID 173396921) has the molecular formula C12H15Cl2NO and a molecular weight of 260.16 g/mol. Its IUPAC name is N-[4-(3,4-dichlorophenyl)-3,3-dimethylbutylidene]hydroxylamine.

Molecular Properties

Compound NameN-[4-(3,4-dichlorophenyl)-3,3-dimethylbutylidene]hydroxylamine
PubChem CID173396921
Molecular FormulaC12H15Cl2NO
Molecular Weight260.16 g/mol
Exact Mass259.05
IUPAC NameN-[4-(3,4-dichlorophenyl)-3,3-dimethylbutylidene]hydroxylamine
SMILESCC(C)(CC=NO)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H15Cl2NO/c1-12(2,5-6-15-16)8-9-3-4-10(13)11(14)7-9/h3-4,6-7,16H,5,8H2,1-2H3
InChIKeyJWCOUEXYHHDQSM-UHFFFAOYSA-N
XLogP4.41
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.16
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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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Frequently Asked Questions

What is the IUPAC name of N-[4-(3,4-dichlorophenyl)-3,3-dimethylbutylidene]hydroxylamine?
The IUPAC name of N-[4-(3,4-dichlorophenyl)-3,3-dimethylbutylidene]hydroxylamine (CID 173396921) is N-[4-(3,4-dichlorophenyl)-3,3-dimethylbutylidene]hydroxylamine.
What is the SMILES notation for N-[4-(3,4-dichlorophenyl)-3,3-dimethylbutylidene]hydroxylamine?
The canonical SMILES for N-[4-(3,4-dichlorophenyl)-3,3-dimethylbutylidene]hydroxylamine is CC(C)(CC=NO)Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-[4-(3,4-dichlorophenyl)-3,3-dimethylbutylidene]hydroxylamine?
The InChIKey is JWCOUEXYHHDQSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2NO/c1-12(2,5-6-15-16)8-9-3-4-10(13)11(14)7-9/h3-4,6-7,16H,5,8H2,1-2H3.
What are the key properties of N-[4-(3,4-dichlorophenyl)-3,3-dimethylbutylidene]hydroxylamine?
N-[4-(3,4-dichlorophenyl)-3,3-dimethylbutylidene]hydroxylamine has a molecular weight of 260.16 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,4-dichlorophenyl)-3,3-dimethylbutylidene]hydroxylamine is sourced from PubChem (CID 173396921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).