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

C15H26BrN3S — CID 105243706

IUPAC1-[2-(3-bromothiophen-2-yl)-1-hydrazinylethyl]-N,N,3-trimethylcyclohexan-1-amine
SMILESCC1CCCC(C(Cc2sccc2Br)NN)(N(C)C)C1
InChIInChI=1S/C15H26BrN3S/c1-11-5-4-7-15(10-11,19(2)3)14(18-17)9-13-12(16)6-8-20-13/h6,8,11,14,18H,4-5,7,9-10,17H2,1-3H3
InChIKeyHZKYNPZCPBIORF-UHFFFAOYSA-N
MW360.37 g/mol
LogP3.40
Rot. Bonds5

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

1-[2-(3-bromothiophen-2-yl)-1-hydrazinylethyl]-N,N,3-trimethylcyclohexan-1-amine (PubChem CID 105243706) has the molecular formula C15H26BrN3S and a molecular weight of 360.37 g/mol. Its IUPAC name is 1-[2-(3-bromothiophen-2-yl)-1-hydrazinylethyl]-N,N,3-trimethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-[2-(3-bromothiophen-2-yl)-1-hydrazinylethyl]-N,N,3-trimethylcyclohexan-1-amine
PubChem CID105243706
Molecular FormulaC15H26BrN3S
Molecular Weight360.37 g/mol
Exact Mass359.10
IUPAC Name1-[2-(3-bromothiophen-2-yl)-1-hydrazinylethyl]-N,N,3-trimethylcyclohexan-1-amine
SMILESCC1CCCC(C(Cc2sccc2Br)NN)(N(C)C)C1
InChIInChI=1S/C15H26BrN3S/c1-11-5-4-7-15(10-11,19(2)3)14(18-17)9-13-12(16)6-8-20-13/h6,8,11,14,18H,4-5,7,9-10,17H2,1-3H3
InChIKeyHZKYNPZCPBIORF-UHFFFAOYSA-N
XLogP3.40
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.37
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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
1-[2-(3-bromophenyl)-1-hydrazinylethyl]-N,N,3-trimethylcyclohexan-1-amine
CID 105243659
1-[2-(2-fluorophenyl)-1-hydrazinylethyl]-N,N,3-trimethylcyclohexan-1-amine
CID 105243637
[2-(3-bromothiophen-2-yl)-1-(1-ethoxy-4-methylcyclohexyl)ethyl]hydrazine
CID 105277367
1-[2-(3-bromothiophen-2-yl)-1-(ethylamino)ethyl]-N,N-dimethylcycloheptan-1-amine
CID 79064069
1-(1-hydrazinyl-3-methylpentyl)-N,N,3-trimethylcyclohexan-1-amine
CID 105243702
[2-(3-bromothiophen-2-yl)-1-(4-ethoxyoxan-4-yl)ethyl]hydrazine
CID 105276919
N,N,3-trimethyl-1-[1-(methylamino)-3-thiophen-3-ylpropyl]cyclohexan-1-amine
CID 79074622
1-[amino-(4-bromothiophen-3-yl)methyl]-N,N,3-trimethylcyclohexan-1-amine
CID 79602152
2-(3-bromothiophen-2-yl)-1-(1-methoxy-4-methylcyclohexyl)-N-methylethanamine
CID 116766449
1-(1-hydrazinyl-4-methoxy-4-methylpentyl)-N,N,3-trimethylcyclohexan-1-amine
CID 103026906
1-[amino(thiophen-2-yl)methyl]-N,N,3-trimethylcyclohexan-1-amine
CID 79074325

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-bromothiophen-2-yl)-1-hydrazinylethyl]-N,N,3-trimethylcyclohexan-1-amine?
The IUPAC name of 1-[2-(3-bromothiophen-2-yl)-1-hydrazinylethyl]-N,N,3-trimethylcyclohexan-1-amine (CID 105243706) is 1-[2-(3-bromothiophen-2-yl)-1-hydrazinylethyl]-N,N,3-trimethylcyclohexan-1-amine.
What is the SMILES notation for 1-[2-(3-bromothiophen-2-yl)-1-hydrazinylethyl]-N,N,3-trimethylcyclohexan-1-amine?
The canonical SMILES for 1-[2-(3-bromothiophen-2-yl)-1-hydrazinylethyl]-N,N,3-trimethylcyclohexan-1-amine is CC1CCCC(C(Cc2sccc2Br)NN)(N(C)C)C1.
What is the InChIKey of 1-[2-(3-bromothiophen-2-yl)-1-hydrazinylethyl]-N,N,3-trimethylcyclohexan-1-amine?
The InChIKey is HZKYNPZCPBIORF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26BrN3S/c1-11-5-4-7-15(10-11,19(2)3)14(18-17)9-13-12(16)6-8-20-13/h6,8,11,14,18H,4-5,7,9-10,17H2,1-3H3.
What are the key properties of 1-[2-(3-bromothiophen-2-yl)-1-hydrazinylethyl]-N,N,3-trimethylcyclohexan-1-amine?
1-[2-(3-bromothiophen-2-yl)-1-hydrazinylethyl]-N,N,3-trimethylcyclohexan-1-amine has a molecular weight of 360.37 g/mol, XLogP of 3.40, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-bromothiophen-2-yl)-1-hydrazinylethyl]-N,N,3-trimethylcyclohexan-1-amine is sourced from PubChem (CID 105243706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).