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

C17H28BrN3 — CID 105243659

IUPAC1-[2-(3-bromophenyl)-1-hydrazinylethyl]-N,N,3-trimethylcyclohexan-1-amine
SMILESCC1CCCC(C(Cc2cccc(Br)c2)NN)(N(C)C)C1
InChIInChI=1S/C17H28BrN3/c1-13-6-5-9-17(12-13,21(2)3)16(20-19)11-14-7-4-8-15(18)10-14/h4,7-8,10,13,16,20H,5-6,9,11-12,19H2,1-3H3
InChIKeyFSJSFSQRAZDATP-UHFFFAOYSA-N
MW354.34 g/mol
LogP3.33
Rot. Bonds5

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

1-[2-(3-bromophenyl)-1-hydrazinylethyl]-N,N,3-trimethylcyclohexan-1-amine (PubChem CID 105243659) has the molecular formula C17H28BrN3 and a molecular weight of 354.34 g/mol. Its IUPAC name is 1-[2-(3-bromophenyl)-1-hydrazinylethyl]-N,N,3-trimethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-[2-(3-bromophenyl)-1-hydrazinylethyl]-N,N,3-trimethylcyclohexan-1-amine
PubChem CID105243659
Molecular FormulaC17H28BrN3
Molecular Weight354.34 g/mol
Exact Mass353.15
IUPAC Name1-[2-(3-bromophenyl)-1-hydrazinylethyl]-N,N,3-trimethylcyclohexan-1-amine
SMILESCC1CCCC(C(Cc2cccc(Br)c2)NN)(N(C)C)C1
InChIInChI=1S/C17H28BrN3/c1-13-6-5-9-17(12-13,21(2)3)16(20-19)11-14-7-4-8-15(18)10-14/h4,7-8,10,13,16,20H,5-6,9,11-12,19H2,1-3H3
InChIKeyFSJSFSQRAZDATP-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

[2-(3-bromophenyl)-1-(1-methoxy-3-methylcyclohexyl)ethyl]hydrazine
CID 105277532
1-[2-(2-bromophenyl)-1-hydrazinylethyl]-N,N,3-trimethylcyclohexan-1-amine
CID 105243735
1-[2-(3-bromothiophen-2-yl)-1-hydrazinylethyl]-N,N,3-trimethylcyclohexan-1-amine
CID 105243706
1-[2-(2-fluorophenyl)-1-hydrazinylethyl]-N,N,3-trimethylcyclohexan-1-amine
CID 105243637
1-[1-amino-2-(3-bromophenyl)ethyl]-N,N-dimethylcyclohexan-1-amine
CID 79066288
1-[1-amino-2-(3-fluorophenyl)ethyl]-N,N,3-trimethylcyclohexan-1-amine
CID 79074692
1-(1-hydrazinyl-3-methylpentyl)-N,N,3-trimethylcyclohexan-1-amine
CID 105243702
1-[2-(4-chlorophenyl)-1-(methylamino)ethyl]-N,N,3-trimethylcyclohexan-1-amine
CID 79062833
[1-(1-methoxy-3-methylcyclohexyl)-2-(3-methoxyphenyl)ethyl]hydrazine
CID 105277612
1-(1-hydrazinyl-4-methoxy-4-methylpentyl)-N,N,3-trimethylcyclohexan-1-amine
CID 103026906
[2-(3-bromophenyl)-1-(1-phenylcyclopropyl)ethyl]hydrazine
CID 105217124
1-[2-(5-bromo-2-pyridinyl)-1-(methylamino)ethyl]-N,N,3-trimethylcyclohexan-1-amine
CID 104803076

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-bromophenyl)-1-hydrazinylethyl]-N,N,3-trimethylcyclohexan-1-amine?
The IUPAC name of 1-[2-(3-bromophenyl)-1-hydrazinylethyl]-N,N,3-trimethylcyclohexan-1-amine (CID 105243659) is 1-[2-(3-bromophenyl)-1-hydrazinylethyl]-N,N,3-trimethylcyclohexan-1-amine.
What is the SMILES notation for 1-[2-(3-bromophenyl)-1-hydrazinylethyl]-N,N,3-trimethylcyclohexan-1-amine?
The canonical SMILES for 1-[2-(3-bromophenyl)-1-hydrazinylethyl]-N,N,3-trimethylcyclohexan-1-amine is CC1CCCC(C(Cc2cccc(Br)c2)NN)(N(C)C)C1.
What is the InChIKey of 1-[2-(3-bromophenyl)-1-hydrazinylethyl]-N,N,3-trimethylcyclohexan-1-amine?
The InChIKey is FSJSFSQRAZDATP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28BrN3/c1-13-6-5-9-17(12-13,21(2)3)16(20-19)11-14-7-4-8-15(18)10-14/h4,7-8,10,13,16,20H,5-6,9,11-12,19H2,1-3H3.
What are the key properties of 1-[2-(3-bromophenyl)-1-hydrazinylethyl]-N,N,3-trimethylcyclohexan-1-amine?
1-[2-(3-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-(3-bromophenyl)-1-hydrazinylethyl]-N,N,3-trimethylcyclohexan-1-amine is sourced from PubChem (CID 105243659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).