N-[(3R,4R)-3,4-diphenylcyclohexylidene]hydroxylamine

C₁₈H₁₉NO — CID 152768456

About N-[(3R,4R)-3,4-diphenylcyclohexylidene]hydroxylamine

N-[(3R,4R)-3,4-diphenylcyclohexylidene]hydroxylamine (PubChem CID 152768456) has the molecular formula C₁₈H₁₉NO and a molecular weight of 265.36 g/mol. Its IUPAC name is N-[(3R,4R)-3,4-diphenylcyclohexylidene]hydroxylamine.

Molecular Properties

• Compound Name: N-[(3R,4R)-3,4-diphenylcyclohexylidene]hydroxylamine
• PubChem CID: 152768456
• Molecular Formula: C₁₈H₁₉NO
• Molecular Weight: 265.36 g/mol
• Exact Mass: 265.15
• IUPAC Name: N-[(3R,4R)-3,4-diphenylcyclohexylidene]hydroxylamine
• SMILES: ON=C1CC[C@@H](c2ccccc2)[C@H](c2ccccc2)C1
• InChI: InChI=1S/C18H19NO/c20-19-16-11-12-17(14-7-3-1-4-8-14)18(13-16)15-9-5-2-6-10-15/h1-10,17-18,20H,11-13H2/t17-,18-/m0/s1
• InChIKey: FLAREEUHPXSCHB-ROUUACIJSA-N
• XLogP: 4.57
• TPSA: 32.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 2
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	265.36
LogP ≤ 5	4.57
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

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'}

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4R)-3,4-diphenylcyclohexylidene]hydroxylamine?

The IUPAC name of N-[(3R,4R)-3,4-diphenylcyclohexylidene]hydroxylamine (CID 152768456) is N-[(3R,4R)-3,4-diphenylcyclohexylidene]hydroxylamine.

What is the SMILES notation for N-[(3R,4R)-3,4-diphenylcyclohexylidene]hydroxylamine?

The canonical SMILES for N-[(3R,4R)-3,4-diphenylcyclohexylidene]hydroxylamine is ON=C1CC[C@@H](c2ccccc2)[C@H](c2ccccc2)C1.

What is the InChIKey of N-[(3R,4R)-3,4-diphenylcyclohexylidene]hydroxylamine?

The InChIKey is FLAREEUHPXSCHB-ROUUACIJSA-N. The full InChI is InChI=1S/C18H19NO/c20-19-16-11-12-17(14-7-3-1-4-8-14)18(13-16)15-9-5-2-6-10-15/h1-10,17-18,20H,11-13H2/t17-,18-/m0/s1.

What are the key properties of N-[(3R,4R)-3,4-diphenylcyclohexylidene]hydroxylamine?

N-[(3R,4R)-3,4-diphenylcyclohexylidene]hydroxylamine has a molecular weight of 265.36 g/mol, XLogP of 4.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3R,4R)-3,4-diphenylcyclohexylidene]hydroxylamine is sourced from PubChem (CID 152768456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 152768456 — identifiers, structure, computed properties (public domain)

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