[1-(2,3-dihydro-1-benzothiophen-3-yl)-4,4-dimethylpentyl]hydrazine

C15H24N2S — CID 105300003

IUPAC[1-(2,3-dihydro-1-benzothiophen-3-yl)-4,4-dimethylpentyl]hydrazine
SMILESCC(C)(C)CCC(NN)C1CSc2ccccc21
InChIInChI=1S/C15H24N2S/c1-15(2,3)9-8-13(17-16)12-10-18-14-7-5-4-6-11(12)14/h4-7,12-13,17H,8-10,16H2,1-3H3
InChIKeyKQRPCYZYXWGRPW-UHFFFAOYSA-N
MW264.44 g/mol
LogP3.53
Rot. Bonds4

About [1-(2,3-dihydro-1-benzothiophen-3-yl)-4,4-dimethylpentyl]hydrazine

[1-(2,3-dihydro-1-benzothiophen-3-yl)-4,4-dimethylpentyl]hydrazine (PubChem CID 105300003) has the molecular formula C15H24N2S and a molecular weight of 264.44 g/mol. Its IUPAC name is [1-(2,3-dihydro-1-benzothiophen-3-yl)-4,4-dimethylpentyl]hydrazine.

Molecular Properties

Compound Name[1-(2,3-dihydro-1-benzothiophen-3-yl)-4,4-dimethylpentyl]hydrazine
PubChem CID105300003
Molecular FormulaC15H24N2S
Molecular Weight264.44 g/mol
Exact Mass264.17
IUPAC Name[1-(2,3-dihydro-1-benzothiophen-3-yl)-4,4-dimethylpentyl]hydrazine
SMILESCC(C)(C)CCC(NN)C1CSc2ccccc21
InChIInChI=1S/C15H24N2S/c1-15(2,3)9-8-13(17-16)12-10-18-14-7-5-4-6-11(12)14/h4-7,12-13,17H,8-10,16H2,1-3H3
InChIKeyKQRPCYZYXWGRPW-UHFFFAOYSA-N
XLogP3.53
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.44
LogP ≤ 53.53
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

1-(2,3-dihydro-1-benzothiophen-3-yl)-4,4,4-trifluoro-N-methylbutan-1-amine
CID 105156258
[1-(2,3-dihydro-1-benzothiophen-3-yl)-3-methylbut-3-enyl]hydrazine
CID 105319554
[2-(2-chlorophenyl)-1-(2,3-dihydro-1-benzothiophen-3-yl)ethyl]hydrazine
CID 105286555
[1-(2,3-dihydro-1-benzothiophen-3-yl)-3-(1-methylimidazol-2-yl)propyl]hydrazine
CID 105340338
[2-(3-chloro-2-fluorophenyl)-1-(2,3-dihydro-1-benzothiophen-3-yl)ethyl]hydrazine
CID 102868730
[1-(2,3-dihydro-1-benzothiophen-3-yl)-2-(3-fluorophenyl)ethyl]hydrazine
CID 105286394
[cyclopropyl(2,3-dihydro-1-benzothiophen-3-yl)methyl]hydrazine
CID 105314544
[1-(2,3-dihydro-1-benzothiophen-3-yl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethyl]hydrazine
CID 105318516
3-cyclopropyl-1-(2,3-dihydro-1-benzothiophen-3-yl)-N-propylpropan-1-amine
CID 105157909
1-(2,3-dihydro-1-benzothiophen-3-yl)-4-methylpentan-1-amine
CID 105126981
1-(2,3-dihydro-1-benzothiophen-3-yl)-N-ethylheptan-1-amine
CID 105125987
2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(2,3-dihydro-1-benzothiophen-3-yl)-N-methylethanamine
CID 105162705

Frequently Asked Questions

What is the IUPAC name of [1-(2,3-dihydro-1-benzothiophen-3-yl)-4,4-dimethylpentyl]hydrazine?
The IUPAC name of [1-(2,3-dihydro-1-benzothiophen-3-yl)-4,4-dimethylpentyl]hydrazine (CID 105300003) is [1-(2,3-dihydro-1-benzothiophen-3-yl)-4,4-dimethylpentyl]hydrazine.
What is the SMILES notation for [1-(2,3-dihydro-1-benzothiophen-3-yl)-4,4-dimethylpentyl]hydrazine?
The canonical SMILES for [1-(2,3-dihydro-1-benzothiophen-3-yl)-4,4-dimethylpentyl]hydrazine is CC(C)(C)CCC(NN)C1CSc2ccccc21.
What is the InChIKey of [1-(2,3-dihydro-1-benzothiophen-3-yl)-4,4-dimethylpentyl]hydrazine?
The InChIKey is KQRPCYZYXWGRPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2S/c1-15(2,3)9-8-13(17-16)12-10-18-14-7-5-4-6-11(12)14/h4-7,12-13,17H,8-10,16H2,1-3H3.
What are the key properties of [1-(2,3-dihydro-1-benzothiophen-3-yl)-4,4-dimethylpentyl]hydrazine?
[1-(2,3-dihydro-1-benzothiophen-3-yl)-4,4-dimethylpentyl]hydrazine has a molecular weight of 264.44 g/mol, XLogP of 3.53, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,3-dihydro-1-benzothiophen-3-yl)-4,4-dimethylpentyl]hydrazine is sourced from PubChem (CID 105300003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).