[3-cyclohexyl-1-(2,4-dibromophenyl)propyl]hydrazine

C15H22Br2N2 — CID 114193446

IUPAC[3-cyclohexyl-1-(2,4-dibromophenyl)propyl]hydrazine
SMILESNNC(CCC1CCCCC1)c1ccc(Br)cc1Br
InChIInChI=1S/C15H22Br2N2/c16-12-7-8-13(14(17)10-12)15(19-18)9-6-11-4-2-1-3-5-11/h7-8,10-11,15,19H,1-6,9,18H2
InChIKeyZSBWRNJTWHNCGZ-UHFFFAOYSA-N
MW390.16 g/mol
LogP5.08
Rot. Bonds5

About [3-cyclohexyl-1-(2,4-dibromophenyl)propyl]hydrazine

[3-cyclohexyl-1-(2,4-dibromophenyl)propyl]hydrazine (PubChem CID 114193446) has the molecular formula C15H22Br2N2 and a molecular weight of 390.16 g/mol. Its IUPAC name is [3-cyclohexyl-1-(2,4-dibromophenyl)propyl]hydrazine.

Molecular Properties

Compound Name[3-cyclohexyl-1-(2,4-dibromophenyl)propyl]hydrazine
PubChem CID114193446
Molecular FormulaC15H22Br2N2
Molecular Weight390.16 g/mol
Exact Mass388.01
IUPAC Name[3-cyclohexyl-1-(2,4-dibromophenyl)propyl]hydrazine
SMILESNNC(CCC1CCCCC1)c1ccc(Br)cc1Br
InChIInChI=1S/C15H22Br2N2/c16-12-7-8-13(14(17)10-12)15(19-18)9-6-11-4-2-1-3-5-11/h7-8,10-11,15,19H,1-6,9,18H2
InChIKeyZSBWRNJTWHNCGZ-UHFFFAOYSA-N
XLogP5.08
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.16
LogP ≤ 55.08
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 [3-cyclohexyl-1-(2,4-dibromophenyl)propyl]hydrazine?
The IUPAC name of [3-cyclohexyl-1-(2,4-dibromophenyl)propyl]hydrazine (CID 114193446) is [3-cyclohexyl-1-(2,4-dibromophenyl)propyl]hydrazine.
What is the SMILES notation for [3-cyclohexyl-1-(2,4-dibromophenyl)propyl]hydrazine?
The canonical SMILES for [3-cyclohexyl-1-(2,4-dibromophenyl)propyl]hydrazine is NNC(CCC1CCCCC1)c1ccc(Br)cc1Br.
What is the InChIKey of [3-cyclohexyl-1-(2,4-dibromophenyl)propyl]hydrazine?
The InChIKey is ZSBWRNJTWHNCGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22Br2N2/c16-12-7-8-13(14(17)10-12)15(19-18)9-6-11-4-2-1-3-5-11/h7-8,10-11,15,19H,1-6,9,18H2.
What are the key properties of [3-cyclohexyl-1-(2,4-dibromophenyl)propyl]hydrazine?
[3-cyclohexyl-1-(2,4-dibromophenyl)propyl]hydrazine has a molecular weight of 390.16 g/mol, XLogP of 5.08, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-cyclohexyl-1-(2,4-dibromophenyl)propyl]hydrazine is sourced from PubChem (CID 114193446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).