[1-(1-benzothiophen-2-yl)-4-methylpent-4-enyl]hydrazine

C14H18N2S — CID 105335873

IUPAC[1-(1-benzothiophen-2-yl)-4-methylpent-4-enyl]hydrazine
SMILESC=C(C)CCC(NN)c1cc2ccccc2s1
InChIInChI=1S/C14H18N2S/c1-10(2)7-8-12(16-15)14-9-11-5-3-4-6-13(11)17-14/h3-6,9,12,16H,1,7-8,15H2,2H3
InChIKeyRRGCZRRKUJEWQD-UHFFFAOYSA-N
MW246.38 g/mol
LogP3.76
Rot. Bonds5

About [1-(1-benzothiophen-2-yl)-4-methylpent-4-enyl]hydrazine

[1-(1-benzothiophen-2-yl)-4-methylpent-4-enyl]hydrazine (PubChem CID 105335873) has the molecular formula C14H18N2S and a molecular weight of 246.38 g/mol. Its IUPAC name is [1-(1-benzothiophen-2-yl)-4-methylpent-4-enyl]hydrazine.

Molecular Properties

Compound Name[1-(1-benzothiophen-2-yl)-4-methylpent-4-enyl]hydrazine
PubChem CID105335873
Molecular FormulaC14H18N2S
Molecular Weight246.38 g/mol
Exact Mass246.12
IUPAC Name[1-(1-benzothiophen-2-yl)-4-methylpent-4-enyl]hydrazine
SMILESC=C(C)CCC(NN)c1cc2ccccc2s1
InChIInChI=1S/C14H18N2S/c1-10(2)7-8-12(16-15)14-9-11-5-3-4-6-13(11)17-14/h3-6,9,12,16H,1,7-8,15H2,2H3
InChIKeyRRGCZRRKUJEWQD-UHFFFAOYSA-N
XLogP3.76
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[1-(5-ethylthiophen-2-yl)-4-methylpent-4-enyl]hydrazine
CID 105335800
N-ethyl-1-(6-fluoro-1-benzothiophen-2-yl)-4-methylpent-4-en-1-amine
CID 105039626
[1-(1-benzothiophen-2-yl)-2-cyclopentylethyl]hydrazine
CID 105299057
[1-(1-benzothiophen-2-yl)-2-(2-chloro-4-fluorophenyl)ethyl]hydrazine
CID 105295198
[1-(6-fluoro-1-benzothiophen-2-yl)-5,5-dimethylhexyl]hydrazine
CID 114211702
[1-(1-benzothiophen-2-yl)-2-(3-methoxyphenyl)ethyl]hydrazine
CID 105295339
(1R)-1-(1-benzothiophen-2-yl)propan-1-ol
CID 171099380
1-(1-benzothiophen-2-yl)-N-propylbutan-1-amine
CID 115778262
[1-(1-benzothiophen-2-yl)-2-(5-chloro-2-fluorophenyl)ethyl]hydrazine
CID 103053796
1-(6-fluoro-1-benzothiophen-2-yl)-4-methylpent-4-en-1-amine
CID 105039458
[4-methyl-1-(4-methylquinolin-2-yl)pent-4-enyl]hydrazine
CID 105279669
1-(6-fluoro-1-benzothiophen-2-yl)pentylhydrazine
CID 105293758

Frequently Asked Questions

What is the IUPAC name of [1-(1-benzothiophen-2-yl)-4-methylpent-4-enyl]hydrazine?
The IUPAC name of [1-(1-benzothiophen-2-yl)-4-methylpent-4-enyl]hydrazine (CID 105335873) is [1-(1-benzothiophen-2-yl)-4-methylpent-4-enyl]hydrazine.
What is the SMILES notation for [1-(1-benzothiophen-2-yl)-4-methylpent-4-enyl]hydrazine?
The canonical SMILES for [1-(1-benzothiophen-2-yl)-4-methylpent-4-enyl]hydrazine is C=C(C)CCC(NN)c1cc2ccccc2s1.
What is the InChIKey of [1-(1-benzothiophen-2-yl)-4-methylpent-4-enyl]hydrazine?
The InChIKey is RRGCZRRKUJEWQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2S/c1-10(2)7-8-12(16-15)14-9-11-5-3-4-6-13(11)17-14/h3-6,9,12,16H,1,7-8,15H2,2H3.
What are the key properties of [1-(1-benzothiophen-2-yl)-4-methylpent-4-enyl]hydrazine?
[1-(1-benzothiophen-2-yl)-4-methylpent-4-enyl]hydrazine has a molecular weight of 246.38 g/mol, XLogP of 3.76, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1-benzothiophen-2-yl)-4-methylpent-4-enyl]hydrazine is sourced from PubChem (CID 105335873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).