[2-(4-bromophenyl)-1-(cyclohepten-1-yl)ethyl]hydrazine

C15H21BrN2 — CID 106648573

IUPAC[2-(4-bromophenyl)-1-(cyclohepten-1-yl)ethyl]hydrazine
SMILESNNC(Cc1ccc(Br)cc1)C1=CCCCCC1
InChIInChI=1S/C15H21BrN2/c16-14-9-7-12(8-10-14)11-15(18-17)13-5-3-1-2-4-6-13/h5,7-10,15,18H,1-4,6,11,17H2
InChIKeySCTTVJGCWVYPHK-UHFFFAOYSA-N
MW309.25 g/mol
LogP3.71
Rot. Bonds4

About [2-(4-bromophenyl)-1-(cyclohepten-1-yl)ethyl]hydrazine

[2-(4-bromophenyl)-1-(cyclohepten-1-yl)ethyl]hydrazine (PubChem CID 106648573) has the molecular formula C15H21BrN2 and a molecular weight of 309.25 g/mol. Its IUPAC name is [2-(4-bromophenyl)-1-(cyclohepten-1-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-(4-bromophenyl)-1-(cyclohepten-1-yl)ethyl]hydrazine
PubChem CID106648573
Molecular FormulaC15H21BrN2
Molecular Weight309.25 g/mol
Exact Mass308.09
IUPAC Name[2-(4-bromophenyl)-1-(cyclohepten-1-yl)ethyl]hydrazine
SMILESNNC(Cc1ccc(Br)cc1)C1=CCCCCC1
InChIInChI=1S/C15H21BrN2/c16-14-9-7-12(8-10-14)11-15(18-17)13-5-3-1-2-4-6-13/h5,7-10,15,18H,1-4,6,11,17H2
InChIKeySCTTVJGCWVYPHK-UHFFFAOYSA-N
XLogP3.71
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.25
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[2-(4-chlorophenyl)-1-[(1E)-cycloocten-1-yl]ethyl]hydrazine
CID 106648598
[1-[(1E)-cycloocten-1-yl]-2-(3,5-difluorophenyl)ethyl]hydrazine
CID 106648712
[1-(cyclohepten-1-yl)-2-(3,5-difluorophenyl)ethyl]hydrazine
CID 106648713
[1-(cyclohexen-1-yl)-2-thiophen-3-ylethyl]hydrazine
CID 106650433
[1-[(1E)-cycloocten-1-yl]-2-(2,6-dichlorophenyl)ethyl]hydrazine
CID 106648752
[1-(cyclohexen-1-yl)-2-(3-methoxyphenyl)ethyl]hydrazine
CID 106648692
[1-(cyclohexen-1-yl)-2-(6-methoxy-3-pyridinyl)ethyl]hydrazine
CID 106649305
1,2-bis(4-bromophenyl)ethylhydrazine
CID 105192515
[1-(cyclohepten-1-yl)-3-methylbutyl]hydrazine
CID 106648613
[1-(cyclohexen-1-yl)-2-(2-fluorophenyl)ethyl]hydrazine
CID 106648715
[1-(cyclohepten-1-yl)-3-(4-methylphenyl)propyl]hydrazine
CID 106650193
[1-(cyclohepten-1-yl)-2-cycloheptylethyl]hydrazine
CID 106650401

Frequently Asked Questions

What is the IUPAC name of [2-(4-bromophenyl)-1-(cyclohepten-1-yl)ethyl]hydrazine?
The IUPAC name of [2-(4-bromophenyl)-1-(cyclohepten-1-yl)ethyl]hydrazine (CID 106648573) is [2-(4-bromophenyl)-1-(cyclohepten-1-yl)ethyl]hydrazine.
What is the SMILES notation for [2-(4-bromophenyl)-1-(cyclohepten-1-yl)ethyl]hydrazine?
The canonical SMILES for [2-(4-bromophenyl)-1-(cyclohepten-1-yl)ethyl]hydrazine is NNC(Cc1ccc(Br)cc1)C1=CCCCCC1.
What is the InChIKey of [2-(4-bromophenyl)-1-(cyclohepten-1-yl)ethyl]hydrazine?
The InChIKey is SCTTVJGCWVYPHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2/c16-14-9-7-12(8-10-14)11-15(18-17)13-5-3-1-2-4-6-13/h5,7-10,15,18H,1-4,6,11,17H2.
What are the key properties of [2-(4-bromophenyl)-1-(cyclohepten-1-yl)ethyl]hydrazine?
[2-(4-bromophenyl)-1-(cyclohepten-1-yl)ethyl]hydrazine has a molecular weight of 309.25 g/mol, XLogP of 3.71, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-bromophenyl)-1-(cyclohepten-1-yl)ethyl]hydrazine is sourced from PubChem (CID 106648573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).