[(3-bromothiophen-2-yl)-(1-ethoxy-4-methylcyclohexyl)methyl]hydrazine

C14H23BrN2OS — CID 105277390

IUPAC[(3-bromothiophen-2-yl)-(1-ethoxy-4-methylcyclohexyl)methyl]hydrazine
SMILESCCOC1(C(NN)c2sccc2Br)CCC(C)CC1
InChIInChI=1S/C14H23BrN2OS/c1-3-18-14(7-4-10(2)5-8-14)13(17-16)12-11(15)6-9-19-12/h6,9-10,13,17H,3-5,7-8,16H2,1-2H3
InChIKeyXWPZIIUJOAORGO-UHFFFAOYSA-N
MW347.32 g/mol
LogP4.00
Rot. Bonds5

About [(3-bromothiophen-2-yl)-(1-ethoxy-4-methylcyclohexyl)methyl]hydrazine

[(3-bromothiophen-2-yl)-(1-ethoxy-4-methylcyclohexyl)methyl]hydrazine (PubChem CID 105277390) has the molecular formula C14H23BrN2OS and a molecular weight of 347.32 g/mol. Its IUPAC name is [(3-bromothiophen-2-yl)-(1-ethoxy-4-methylcyclohexyl)methyl]hydrazine.

Molecular Properties

Compound Name[(3-bromothiophen-2-yl)-(1-ethoxy-4-methylcyclohexyl)methyl]hydrazine
PubChem CID105277390
Molecular FormulaC14H23BrN2OS
Molecular Weight347.32 g/mol
Exact Mass346.07
IUPAC Name[(3-bromothiophen-2-yl)-(1-ethoxy-4-methylcyclohexyl)methyl]hydrazine
SMILESCCOC1(C(NN)c2sccc2Br)CCC(C)CC1
InChIInChI=1S/C14H23BrN2OS/c1-3-18-14(7-4-10(2)5-8-14)13(17-16)12-11(15)6-9-19-12/h6,9-10,13,17H,3-5,7-8,16H2,1-2H3
InChIKeyXWPZIIUJOAORGO-UHFFFAOYSA-N
XLogP4.00
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.32
LogP ≤ 54.00
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

[(3-bromothiophen-2-yl)-(4-ethoxyoxan-4-yl)methyl]hydrazine
CID 105276955
[2-(3-bromothiophen-2-yl)-1-(1-ethoxy-4-methylcyclohexyl)ethyl]hydrazine
CID 105277367
[(3-bromofuran-2-yl)-(1-ethoxy-4-methylcyclohexyl)methyl]hydrazine
CID 105277396
1-(1-ethoxy-4-methylcyclohexyl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine
CID 116767194
N-[(3-bromothiophen-2-yl)-(1-ethoxy-4,4-dimethylcyclohexyl)methyl]ethanamine
CID 116768848
N-[(3-bromothiophen-2-yl)-(1-ethoxycycloheptyl)methyl]ethanamine
CID 116770975
[(1-ethoxy-4-methylcyclohexyl)-(4-methylphenyl)methyl]hydrazine
CID 105277256
[(1-ethoxy-4,4-dimethylcyclohexyl)-(3-methylthiophen-2-yl)methyl]hydrazine
CID 105277891
1-(3-bromothiophen-2-yl)-1-(1-ethoxycycloheptyl)-N-methylmethanamine
CID 116770817
[(3,4-difluorophenyl)-(1-ethoxy-4-methylcyclohexyl)methyl]hydrazine
CID 105277308
N-[(1-ethoxy-4-methylcyclohexyl)-(2-methylthiophen-3-yl)methyl]ethanamine
CID 102833988
[2-(2-bromophenyl)-1-(1-ethoxy-4-methylcyclohexyl)ethyl]hydrazine
CID 105277395

Frequently Asked Questions

What is the IUPAC name of [(3-bromothiophen-2-yl)-(1-ethoxy-4-methylcyclohexyl)methyl]hydrazine?
The IUPAC name of [(3-bromothiophen-2-yl)-(1-ethoxy-4-methylcyclohexyl)methyl]hydrazine (CID 105277390) is [(3-bromothiophen-2-yl)-(1-ethoxy-4-methylcyclohexyl)methyl]hydrazine.
What is the SMILES notation for [(3-bromothiophen-2-yl)-(1-ethoxy-4-methylcyclohexyl)methyl]hydrazine?
The canonical SMILES for [(3-bromothiophen-2-yl)-(1-ethoxy-4-methylcyclohexyl)methyl]hydrazine is CCOC1(C(NN)c2sccc2Br)CCC(C)CC1.
What is the InChIKey of [(3-bromothiophen-2-yl)-(1-ethoxy-4-methylcyclohexyl)methyl]hydrazine?
The InChIKey is XWPZIIUJOAORGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23BrN2OS/c1-3-18-14(7-4-10(2)5-8-14)13(17-16)12-11(15)6-9-19-12/h6,9-10,13,17H,3-5,7-8,16H2,1-2H3.
What are the key properties of [(3-bromothiophen-2-yl)-(1-ethoxy-4-methylcyclohexyl)methyl]hydrazine?
[(3-bromothiophen-2-yl)-(1-ethoxy-4-methylcyclohexyl)methyl]hydrazine has a molecular weight of 347.32 g/mol, XLogP of 4.00, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3-bromothiophen-2-yl)-(1-ethoxy-4-methylcyclohexyl)methyl]hydrazine is sourced from PubChem (CID 105277390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).