[1-(1-adamantyl)-2-(2-bromophenyl)ethyl]hydrazine

C18H25BrN2 — CID 105214542

IUPAC[1-(1-adamantyl)-2-(2-bromophenyl)ethyl]hydrazine
SMILESNNC(Cc1ccccc1Br)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H25BrN2/c19-16-4-2-1-3-15(16)8-17(21-20)18-9-12-5-13(10-18)7-14(6-12)11-18/h1-4,12-14,17,21H,5-11,20H2
InChIKeyNYHGTXODRRHHBQ-UHFFFAOYSA-N
MW349.32 g/mol
LogP4.04
Rot. Bonds4

About [1-(1-adamantyl)-2-(2-bromophenyl)ethyl]hydrazine

[1-(1-adamantyl)-2-(2-bromophenyl)ethyl]hydrazine (PubChem CID 105214542) has the molecular formula C18H25BrN2 and a molecular weight of 349.32 g/mol. Its IUPAC name is [1-(1-adamantyl)-2-(2-bromophenyl)ethyl]hydrazine.

Molecular Properties

Compound Name[1-(1-adamantyl)-2-(2-bromophenyl)ethyl]hydrazine
PubChem CID105214542
Molecular FormulaC18H25BrN2
Molecular Weight349.32 g/mol
Exact Mass348.12
IUPAC Name[1-(1-adamantyl)-2-(2-bromophenyl)ethyl]hydrazine
SMILESNNC(Cc1ccccc1Br)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H25BrN2/c19-16-4-2-1-3-15(16)8-17(21-20)18-9-12-5-13(10-18)7-14(6-12)11-18/h1-4,12-14,17,21H,5-11,20H2
InChIKeyNYHGTXODRRHHBQ-UHFFFAOYSA-N
XLogP4.04
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.32
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', '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 [1-(1-adamantyl)-2-(2-bromophenyl)ethyl]hydrazine?
The IUPAC name of [1-(1-adamantyl)-2-(2-bromophenyl)ethyl]hydrazine (CID 105214542) is [1-(1-adamantyl)-2-(2-bromophenyl)ethyl]hydrazine.
What is the SMILES notation for [1-(1-adamantyl)-2-(2-bromophenyl)ethyl]hydrazine?
The canonical SMILES for [1-(1-adamantyl)-2-(2-bromophenyl)ethyl]hydrazine is NNC(Cc1ccccc1Br)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of [1-(1-adamantyl)-2-(2-bromophenyl)ethyl]hydrazine?
The InChIKey is NYHGTXODRRHHBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25BrN2/c19-16-4-2-1-3-15(16)8-17(21-20)18-9-12-5-13(10-18)7-14(6-12)11-18/h1-4,12-14,17,21H,5-11,20H2.
What are the key properties of [1-(1-adamantyl)-2-(2-bromophenyl)ethyl]hydrazine?
[1-(1-adamantyl)-2-(2-bromophenyl)ethyl]hydrazine has a molecular weight of 349.32 g/mol, XLogP of 4.04, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1-adamantyl)-2-(2-bromophenyl)ethyl]hydrazine is sourced from PubChem (CID 105214542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).