1-[2-(2-bromophenyl)-1-hydrazinylethyl]-N,N,4-trimethylcyclohexan-1-amine

C17H28BrN3 — CID 105243555

IUPAC1-[2-(2-bromophenyl)-1-hydrazinylethyl]-N,N,4-trimethylcyclohexan-1-amine
SMILESCC1CCC(C(Cc2ccccc2Br)NN)(N(C)C)CC1
InChIInChI=1S/C17H28BrN3/c1-13-8-10-17(11-9-13,21(2)3)16(20-19)12-14-6-4-5-7-15(14)18/h4-7,13,16,20H,8-12,19H2,1-3H3
InChIKeyFMAHOBWFKUBNJI-UHFFFAOYSA-N
MW354.34 g/mol
LogP3.33
Rot. Bonds5

About 1-[2-(2-bromophenyl)-1-hydrazinylethyl]-N,N,4-trimethylcyclohexan-1-amine

1-[2-(2-bromophenyl)-1-hydrazinylethyl]-N,N,4-trimethylcyclohexan-1-amine (PubChem CID 105243555) has the molecular formula C17H28BrN3 and a molecular weight of 354.34 g/mol. Its IUPAC name is 1-[2-(2-bromophenyl)-1-hydrazinylethyl]-N,N,4-trimethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-[2-(2-bromophenyl)-1-hydrazinylethyl]-N,N,4-trimethylcyclohexan-1-amine
PubChem CID105243555
Molecular FormulaC17H28BrN3
Molecular Weight354.34 g/mol
Exact Mass353.15
IUPAC Name1-[2-(2-bromophenyl)-1-hydrazinylethyl]-N,N,4-trimethylcyclohexan-1-amine
SMILESCC1CCC(C(Cc2ccccc2Br)NN)(N(C)C)CC1
InChIInChI=1S/C17H28BrN3/c1-13-8-10-17(11-9-13,21(2)3)16(20-19)12-14-6-4-5-7-15(14)18/h4-7,13,16,20H,8-12,19H2,1-3H3
InChIKeyFMAHOBWFKUBNJI-UHFFFAOYSA-N
XLogP3.33
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.34
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(2-bromophenyl)-1-hydrazinylethyl]-N,N,3-trimethylcyclohexan-1-amine
CID 105243735
[2-(2-bromophenyl)-1-(1-ethoxy-4-methylcyclohexyl)ethyl]hydrazine
CID 105277395
1-[2-(2-bromophenyl)-1-(methylamino)ethyl]-N,N-dimethylcyclohexan-1-amine
CID 79065996
1-(2-cyclopentyl-1-hydrazinylethyl)-N,N,4-trimethylcyclohexan-1-amine
CID 105243419
1-[2-(2-fluorophenyl)-1-hydrazinylethyl]-N,N,3-trimethylcyclohexan-1-amine
CID 105243637
1-[2-(2-chlorophenyl)-1-hydrazinylethyl]-N,N-dimethylcyclohexan-1-amine
CID 105243271
2-(2-bromophenyl)-1-[1-(dimethylamino)-3-methylcyclohexyl]ethanol
CID 79074463
[1-(1-adamantyl)-2-(2-bromophenyl)ethyl]hydrazine
CID 105214542
1-[1-hydrazinyl-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]-N,N,4-trimethylcyclohexan-1-amine
CID 105243444
[2-(2-bromophenyl)-1-(4-ethoxyoxan-4-yl)ethyl]hydrazine
CID 105276967
2-(2-bromophenyl)-1-(4,4-dimethylcyclohexyl)ethanamine
CID 65391214
[2-(2-bromophenyl)-1-cyclohexylethyl]hydrazine
CID 105201966

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-bromophenyl)-1-hydrazinylethyl]-N,N,4-trimethylcyclohexan-1-amine?
The IUPAC name of 1-[2-(2-bromophenyl)-1-hydrazinylethyl]-N,N,4-trimethylcyclohexan-1-amine (CID 105243555) is 1-[2-(2-bromophenyl)-1-hydrazinylethyl]-N,N,4-trimethylcyclohexan-1-amine.
What is the SMILES notation for 1-[2-(2-bromophenyl)-1-hydrazinylethyl]-N,N,4-trimethylcyclohexan-1-amine?
The canonical SMILES for 1-[2-(2-bromophenyl)-1-hydrazinylethyl]-N,N,4-trimethylcyclohexan-1-amine is CC1CCC(C(Cc2ccccc2Br)NN)(N(C)C)CC1.
What is the InChIKey of 1-[2-(2-bromophenyl)-1-hydrazinylethyl]-N,N,4-trimethylcyclohexan-1-amine?
The InChIKey is FMAHOBWFKUBNJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28BrN3/c1-13-8-10-17(11-9-13,21(2)3)16(20-19)12-14-6-4-5-7-15(14)18/h4-7,13,16,20H,8-12,19H2,1-3H3.
What are the key properties of 1-[2-(2-bromophenyl)-1-hydrazinylethyl]-N,N,4-trimethylcyclohexan-1-amine?
1-[2-(2-bromophenyl)-1-hydrazinylethyl]-N,N,4-trimethylcyclohexan-1-amine has a molecular weight of 354.34 g/mol, XLogP of 3.33, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-bromophenyl)-1-hydrazinylethyl]-N,N,4-trimethylcyclohexan-1-amine is sourced from PubChem (CID 105243555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).