N-[bis(4-tert-butyl-2-propylphenyl)methylidene]hydroxylamine

C27H39NO — CID 140968421

IUPACN-[bis(4-tert-butyl-2-propylphenyl)methylidene]hydroxylamine
SMILESCCCc1cc(C(C)(C)C)ccc1C(=NO)c1ccc(C(C)(C)C)cc1CCC
InChIInChI=1S/C27H39NO/c1-9-11-19-17-21(26(3,4)5)13-15-23(19)25(28-29)24-16-14-22(27(6,7)8)18-20(24)12-10-2/h13-18,29H,9-12H2,1-8H3
InChIKeyVVHZPRKWGDVGTP-UHFFFAOYSA-N
MW393.62 g/mol
LogP7.41
Rot. Bonds6

About N-[bis(4-tert-butyl-2-propylphenyl)methylidene]hydroxylamine

N-[bis(4-tert-butyl-2-propylphenyl)methylidene]hydroxylamine (PubChem CID 140968421) has the molecular formula C27H39NO and a molecular weight of 393.62 g/mol. Its IUPAC name is N-[bis(4-tert-butyl-2-propylphenyl)methylidene]hydroxylamine.

Molecular Properties

Compound NameN-[bis(4-tert-butyl-2-propylphenyl)methylidene]hydroxylamine
PubChem CID140968421
Molecular FormulaC27H39NO
Molecular Weight393.62 g/mol
Exact Mass393.30
IUPAC NameN-[bis(4-tert-butyl-2-propylphenyl)methylidene]hydroxylamine
SMILESCCCc1cc(C(C)(C)C)ccc1C(=NO)c1ccc(C(C)(C)C)cc1CCC
InChIInChI=1S/C27H39NO/c1-9-11-19-17-21(26(3,4)5)13-15-23(19)25(28-29)24-16-14-22(27(6,7)8)18-20(24)12-10-2/h13-18,29H,9-12H2,1-8H3
InChIKeyVVHZPRKWGDVGTP-UHFFFAOYSA-N
XLogP7.41
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.62
LogP ≤ 57.41
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'}

Analyze N-[bis(4-tert-butyl-2-propylphenyl)methylidene]hydroxylamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[bis(4-tert-butyl-2-propylphenyl)methylidene]hydroxylamine?
The IUPAC name of N-[bis(4-tert-butyl-2-propylphenyl)methylidene]hydroxylamine (CID 140968421) is N-[bis(4-tert-butyl-2-propylphenyl)methylidene]hydroxylamine.
What is the SMILES notation for N-[bis(4-tert-butyl-2-propylphenyl)methylidene]hydroxylamine?
The canonical SMILES for N-[bis(4-tert-butyl-2-propylphenyl)methylidene]hydroxylamine is CCCc1cc(C(C)(C)C)ccc1C(=NO)c1ccc(C(C)(C)C)cc1CCC.
What is the InChIKey of N-[bis(4-tert-butyl-2-propylphenyl)methylidene]hydroxylamine?
The InChIKey is VVHZPRKWGDVGTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H39NO/c1-9-11-19-17-21(26(3,4)5)13-15-23(19)25(28-29)24-16-14-22(27(6,7)8)18-20(24)12-10-2/h13-18,29H,9-12H2,1-8H3.
What are the key properties of N-[bis(4-tert-butyl-2-propylphenyl)methylidene]hydroxylamine?
N-[bis(4-tert-butyl-2-propylphenyl)methylidene]hydroxylamine has a molecular weight of 393.62 g/mol, XLogP of 7.41, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[bis(4-tert-butyl-2-propylphenyl)methylidene]hydroxylamine is sourced from PubChem (CID 140968421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).