2-(1-adamantyl)-1-benzyl-1-(2-phenylethyl)hydrazine

C25H32N2 — CID 90870934

IUPAC2-(1-adamantyl)-1-benzyl-1-(2-phenylethyl)hydrazine
SMILESc1ccc(CCN(Cc2ccccc2)NC23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C25H32N2/c1-3-7-20(8-4-1)11-12-27(19-21-9-5-2-6-10-21)26-25-16-22-13-23(17-25)15-24(14-22)18-25/h1-10,22-24,26H,11-19H2
InChIKeyKYABKNKHEUGYBI-UHFFFAOYSA-N
MW360.54 g/mol
LogP5.20
Rot. Bonds7

About 2-(1-adamantyl)-1-benzyl-1-(2-phenylethyl)hydrazine

2-(1-adamantyl)-1-benzyl-1-(2-phenylethyl)hydrazine (PubChem CID 90870934) has the molecular formula C25H32N2 and a molecular weight of 360.54 g/mol. Its IUPAC name is 2-(1-adamantyl)-1-benzyl-1-(2-phenylethyl)hydrazine.

Molecular Properties

Compound Name2-(1-adamantyl)-1-benzyl-1-(2-phenylethyl)hydrazine
PubChem CID90870934
Molecular FormulaC25H32N2
Molecular Weight360.54 g/mol
Exact Mass360.26
IUPAC Name2-(1-adamantyl)-1-benzyl-1-(2-phenylethyl)hydrazine
SMILESc1ccc(CCN(Cc2ccccc2)NC23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C25H32N2/c1-3-7-20(8-4-1)11-12-27(19-21-9-5-2-6-10-21)26-25-16-22-13-23(17-25)15-24(14-22)18-25/h1-10,22-24,26H,11-19H2
InChIKeyKYABKNKHEUGYBI-UHFFFAOYSA-N
XLogP5.20
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.54
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-1-benzyl-1-(2-phenylethyl)hydrazine?
The IUPAC name of 2-(1-adamantyl)-1-benzyl-1-(2-phenylethyl)hydrazine (CID 90870934) is 2-(1-adamantyl)-1-benzyl-1-(2-phenylethyl)hydrazine.
What is the SMILES notation for 2-(1-adamantyl)-1-benzyl-1-(2-phenylethyl)hydrazine?
The canonical SMILES for 2-(1-adamantyl)-1-benzyl-1-(2-phenylethyl)hydrazine is c1ccc(CCN(Cc2ccccc2)NC23CC4CC(CC(C4)C2)C3)cc1.
What is the InChIKey of 2-(1-adamantyl)-1-benzyl-1-(2-phenylethyl)hydrazine?
The InChIKey is KYABKNKHEUGYBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2/c1-3-7-20(8-4-1)11-12-27(19-21-9-5-2-6-10-21)26-25-16-22-13-23(17-25)15-24(14-22)18-25/h1-10,22-24,26H,11-19H2.
What are the key properties of 2-(1-adamantyl)-1-benzyl-1-(2-phenylethyl)hydrazine?
2-(1-adamantyl)-1-benzyl-1-(2-phenylethyl)hydrazine has a molecular weight of 360.54 g/mol, XLogP of 5.20, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-1-benzyl-1-(2-phenylethyl)hydrazine is sourced from PubChem (CID 90870934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).