1-[2-(2-bromophenyl)-1-hydrazinylethyl]-N,N,3-trimethylcyclohexan-1-amine

C17H28BrN3 — CID 105243735

IUPAC1-[2-(2-bromophenyl)-1-hydrazinylethyl]-N,N,3-trimethylcyclohexan-1-amine
SMILESCC1CCCC(C(Cc2ccccc2Br)NN)(N(C)C)C1
InChIInChI=1S/C17H28BrN3/c1-13-7-6-10-17(12-13,21(2)3)16(20-19)11-14-8-4-5-9-15(14)18/h4-5,8-9,13,16,20H,6-7,10-12,19H2,1-3H3
InChIKeyWTMDIKOXRFZYEE-UHFFFAOYSA-N
MW354.34 g/mol
LogP3.33
Rot. Bonds5

About 1-[2-(2-bromophenyl)-1-hydrazinylethyl]-N,N,3-trimethylcyclohexan-1-amine

1-[2-(2-bromophenyl)-1-hydrazinylethyl]-N,N,3-trimethylcyclohexan-1-amine (PubChem CID 105243735) 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,3-trimethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-[2-(2-bromophenyl)-1-hydrazinylethyl]-N,N,3-trimethylcyclohexan-1-amine
PubChem CID105243735
Molecular FormulaC17H28BrN3
Molecular Weight354.34 g/mol
Exact Mass353.15
IUPAC Name1-[2-(2-bromophenyl)-1-hydrazinylethyl]-N,N,3-trimethylcyclohexan-1-amine
SMILESCC1CCCC(C(Cc2ccccc2Br)NN)(N(C)C)C1
InChIInChI=1S/C17H28BrN3/c1-13-7-6-10-17(12-13,21(2)3)16(20-19)11-14-8-4-5-9-15(14)18/h4-5,8-9,13,16,20H,6-7,10-12,19H2,1-3H3
InChIKeyWTMDIKOXRFZYEE-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-fluorophenyl)-1-hydrazinylethyl]-N,N,3-trimethylcyclohexan-1-amine
CID 105243637
1-[2-(2-bromophenyl)-1-hydrazinylethyl]-N,N,4-trimethylcyclohexan-1-amine
CID 105243555
2-(2-bromophenyl)-1-[1-(dimethylamino)-3-methylcyclohexyl]ethanol
CID 79074463
1-[2-(3-bromophenyl)-1-hydrazinylethyl]-N,N,3-trimethylcyclohexan-1-amine
CID 105243659
1-[2-(3-bromothiophen-2-yl)-1-hydrazinylethyl]-N,N,3-trimethylcyclohexan-1-amine
CID 105243706
1-[2-(2-bromophenyl)-1-(methylamino)ethyl]-N,N-dimethylcyclohexan-1-amine
CID 79065996
[2-(2-bromophenyl)-1-(1-ethoxy-4-methylcyclohexyl)ethyl]hydrazine
CID 105277395
1-(1-hydrazinyl-3-methylpentyl)-N,N,3-trimethylcyclohexan-1-amine
CID 105243702
1-[1-amino-2-(2-bromophenyl)ethyl]-N,N-dimethylcyclohexan-1-amine
CID 79066221
1-[(2-fluorophenyl)-hydrazinylmethyl]-N,N,3-trimethylcyclohexan-1-amine
CID 105243618
1-[hydrazinyl-(2-methoxyphenyl)methyl]-N,N,3-trimethylcyclohexan-1-amine
CID 105243573
1-[2-(2-chlorophenyl)-1-hydrazinylethyl]-N,N-dimethylcyclohexan-1-amine
CID 105243271

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-bromophenyl)-1-hydrazinylethyl]-N,N,3-trimethylcyclohexan-1-amine?
The IUPAC name of 1-[2-(2-bromophenyl)-1-hydrazinylethyl]-N,N,3-trimethylcyclohexan-1-amine (CID 105243735) is 1-[2-(2-bromophenyl)-1-hydrazinylethyl]-N,N,3-trimethylcyclohexan-1-amine.
What is the SMILES notation for 1-[2-(2-bromophenyl)-1-hydrazinylethyl]-N,N,3-trimethylcyclohexan-1-amine?
The canonical SMILES for 1-[2-(2-bromophenyl)-1-hydrazinylethyl]-N,N,3-trimethylcyclohexan-1-amine is CC1CCCC(C(Cc2ccccc2Br)NN)(N(C)C)C1.
What is the InChIKey of 1-[2-(2-bromophenyl)-1-hydrazinylethyl]-N,N,3-trimethylcyclohexan-1-amine?
The InChIKey is WTMDIKOXRFZYEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28BrN3/c1-13-7-6-10-17(12-13,21(2)3)16(20-19)11-14-8-4-5-9-15(14)18/h4-5,8-9,13,16,20H,6-7,10-12,19H2,1-3H3.
What are the key properties of 1-[2-(2-bromophenyl)-1-hydrazinylethyl]-N,N,3-trimethylcyclohexan-1-amine?
1-[2-(2-bromophenyl)-1-hydrazinylethyl]-N,N,3-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,3-trimethylcyclohexan-1-amine is sourced from PubChem (CID 105243735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).