1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)undecylhydrazine

C18H32N2S — CID 105298347

IUPAC1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)undecylhydrazine
SMILESCCCCCCCCCCC(NN)c1cc2c(s1)CCC2
InChIInChI=1S/C18H32N2S/c1-2-3-4-5-6-7-8-9-12-16(20-19)18-14-15-11-10-13-17(15)21-18/h14,16,20H,2-13,19H2,1H3
InChIKeyGWFPFGUDPYQVRE-UHFFFAOYSA-N
MW308.54 g/mol
LogP5.27
Rot. Bonds11

About 1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)undecylhydrazine

1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)undecylhydrazine (PubChem CID 105298347) has the molecular formula C18H32N2S and a molecular weight of 308.54 g/mol. Its IUPAC name is 1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)undecylhydrazine.

Molecular Properties

Compound Name1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)undecylhydrazine
PubChem CID105298347
Molecular FormulaC18H32N2S
Molecular Weight308.54 g/mol
Exact Mass308.23
IUPAC Name1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)undecylhydrazine
SMILESCCCCCCCCCCC(NN)c1cc2c(s1)CCC2
InChIInChI=1S/C18H32N2S/c1-2-3-4-5-6-7-8-9-12-16(20-19)18-14-15-11-10-13-17(15)21-18/h14,16,20H,2-13,19H2,1H3
InChIKeyGWFPFGUDPYQVRE-UHFFFAOYSA-N
XLogP5.27
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.54
LogP ≤ 55.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)pentylhydrazine
CID 105293687
1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-methylnonan-1-amine
CID 115835124
1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-ethyldecan-1-amine
CID 115831829
N-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)decan-1-amine
CID 115831741
N-methyl-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)heptan-1-amine
CID 115833589
1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)nonylhydrazine
CID 105294340
[5-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)hexyl]hydrazine
CID 105331199
1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)hex-5-enylhydrazine
CID 105311280
[1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-4,4-dimethylpentyl]hydrazine
CID 105299986
N-propyl-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)pentan-1-amine
CID 115832731
[1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-4-methoxy-4-methylpentyl]hydrazine
CID 103026377
1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)hex-4-ynylhydrazine
CID 105334885

Frequently Asked Questions

What is the IUPAC name of 1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)undecylhydrazine?
The IUPAC name of 1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)undecylhydrazine (CID 105298347) is 1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)undecylhydrazine.
What is the SMILES notation for 1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)undecylhydrazine?
The canonical SMILES for 1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)undecylhydrazine is CCCCCCCCCCC(NN)c1cc2c(s1)CCC2.
What is the InChIKey of 1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)undecylhydrazine?
The InChIKey is GWFPFGUDPYQVRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2S/c1-2-3-4-5-6-7-8-9-12-16(20-19)18-14-15-11-10-13-17(15)21-18/h14,16,20H,2-13,19H2,1H3.
What are the key properties of 1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)undecylhydrazine?
1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)undecylhydrazine has a molecular weight of 308.54 g/mol, XLogP of 5.27, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)undecylhydrazine is sourced from PubChem (CID 105298347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).