[2,3-dihydro-1-benzothiophen-2-yl-(3-ethylcyclohexyl)methyl]hydrazine

C17H26N2S — CID 105313707

IUPAC[2,3-dihydro-1-benzothiophen-2-yl-(3-ethylcyclohexyl)methyl]hydrazine
SMILESCCC1CCCC(C(NN)C2Cc3ccccc3S2)C1
InChIInChI=1S/C17H26N2S/c1-2-12-6-5-8-14(10-12)17(19-18)16-11-13-7-3-4-9-15(13)20-16/h3-4,7,9,12,14,16-17,19H,2,5-6,8,10-11,18H2,1H3
InChIKeyIJJXBFRDINLWHD-UHFFFAOYSA-N
MW290.48 g/mol
LogP3.75
Rot. Bonds4

About [2,3-dihydro-1-benzothiophen-2-yl-(3-ethylcyclohexyl)methyl]hydrazine

[2,3-dihydro-1-benzothiophen-2-yl-(3-ethylcyclohexyl)methyl]hydrazine (PubChem CID 105313707) has the molecular formula C17H26N2S and a molecular weight of 290.48 g/mol. Its IUPAC name is [2,3-dihydro-1-benzothiophen-2-yl-(3-ethylcyclohexyl)methyl]hydrazine.

Molecular Properties

Compound Name[2,3-dihydro-1-benzothiophen-2-yl-(3-ethylcyclohexyl)methyl]hydrazine
PubChem CID105313707
Molecular FormulaC17H26N2S
Molecular Weight290.48 g/mol
Exact Mass290.18
IUPAC Name[2,3-dihydro-1-benzothiophen-2-yl-(3-ethylcyclohexyl)methyl]hydrazine
SMILESCCC1CCCC(C(NN)C2Cc3ccccc3S2)C1
InChIInChI=1S/C17H26N2S/c1-2-12-6-5-8-14(10-12)17(19-18)16-11-13-7-3-4-9-15(13)20-16/h3-4,7,9,12,14,16-17,19H,2,5-6,8,10-11,18H2,1H3
InChIKeyIJJXBFRDINLWHD-UHFFFAOYSA-N
XLogP3.75
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.48
LogP ≤ 53.75
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-dihydro-1-benzothiophen-2-yl(oxolan-3-yl)methyl]hydrazine
CID 105306540
N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3-ethylcyclohexan-1-amine
CID 79223018
2-cyclobutyl-1-(2,3-dihydro-1-benzothiophen-2-yl)ethanol
CID 105100901
N-[7-bicyclo[4.2.0]octa-1,3,5-trienyl-(3-ethylcyclohexyl)methyl]ethanamine
CID 64984610
[1-(2,3-dihydro-1-benzothiophen-2-yl)-2-methoxyethyl]hydrazine
CID 105321616
[(3-ethylcyclohexyl)-(2-methylphenyl)methyl]hydrazine
CID 105200437
[1-(2,3-dihydro-1-benzothiophen-2-yl)-3-methylhexyl]hydrazine
CID 105298148
[2,3-dihydro-1-benzothiophen-2-yl(phenyl)methyl]hydrazine
CID 105282926
1-(2,3-dihydro-1-benzothiophen-2-yl)-N-methylpropan-1-amine
CID 105079050
3-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-N-methylcyclohexan-1-amine
CID 79224118
[1-(3-ethylcyclohexyl)-2-phenylbutyl]hydrazine
CID 105313742
[(2-chlorophenyl)-(3-ethylcyclohexyl)methyl]hydrazine
CID 105211066

Frequently Asked Questions

What is the IUPAC name of [2,3-dihydro-1-benzothiophen-2-yl-(3-ethylcyclohexyl)methyl]hydrazine?
The IUPAC name of [2,3-dihydro-1-benzothiophen-2-yl-(3-ethylcyclohexyl)methyl]hydrazine (CID 105313707) is [2,3-dihydro-1-benzothiophen-2-yl-(3-ethylcyclohexyl)methyl]hydrazine.
What is the SMILES notation for [2,3-dihydro-1-benzothiophen-2-yl-(3-ethylcyclohexyl)methyl]hydrazine?
The canonical SMILES for [2,3-dihydro-1-benzothiophen-2-yl-(3-ethylcyclohexyl)methyl]hydrazine is CCC1CCCC(C(NN)C2Cc3ccccc3S2)C1.
What is the InChIKey of [2,3-dihydro-1-benzothiophen-2-yl-(3-ethylcyclohexyl)methyl]hydrazine?
The InChIKey is IJJXBFRDINLWHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2S/c1-2-12-6-5-8-14(10-12)17(19-18)16-11-13-7-3-4-9-15(13)20-16/h3-4,7,9,12,14,16-17,19H,2,5-6,8,10-11,18H2,1H3.
What are the key properties of [2,3-dihydro-1-benzothiophen-2-yl-(3-ethylcyclohexyl)methyl]hydrazine?
[2,3-dihydro-1-benzothiophen-2-yl-(3-ethylcyclohexyl)methyl]hydrazine has a molecular weight of 290.48 g/mol, XLogP of 3.75, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2,3-dihydro-1-benzothiophen-2-yl-(3-ethylcyclohexyl)methyl]hydrazine is sourced from PubChem (CID 105313707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).