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

C18H19NO — CID 152768456

IUPACN-[(3R,4R)-3,4-diphenylcyclohexylidene]hydroxylamine
SMILESON=C1CC[C@@H](c2ccccc2)[C@H](c2ccccc2)C1
InChIInChI=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
InChIKeyFLAREEUHPXSCHB-ROUUACIJSA-N
MW265.36 g/mol
LogP4.57
Rot. Bonds2

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 NameN-[(3R,4R)-3,4-diphenylcyclohexylidene]hydroxylamine
PubChem CID152768456
Molecular FormulaC18H19NO
Molecular Weight265.36 g/mol
Exact Mass265.15
IUPAC NameN-[(3R,4R)-3,4-diphenylcyclohexylidene]hydroxylamine
SMILESON=C1CC[C@@H](c2ccccc2)[C@H](c2ccccc2)C1
InChIInChI=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
InChIKeyFLAREEUHPXSCHB-ROUUACIJSA-N
XLogP4.57
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 54.57
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-[(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).