[3-ethyl-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)pentyl]hydrazine

C16H28N2S — CID 105330949

IUPAC[3-ethyl-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)pentyl]hydrazine
SMILESCCC(CC)CC(NN)c1cc2c(s1)CCCCC2
InChIInChI=1S/C16H28N2S/c1-3-12(4-2)10-14(18-17)16-11-13-8-6-5-7-9-15(13)19-16/h11-12,14,18H,3-10,17H2,1-2H3
InChIKeyKUKHCRVDIURGTA-UHFFFAOYSA-N
MW280.48 g/mol
LogP4.35
Rot. Bonds6

About [3-ethyl-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)pentyl]hydrazine

[3-ethyl-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)pentyl]hydrazine (PubChem CID 105330949) has the molecular formula C16H28N2S and a molecular weight of 280.48 g/mol. Its IUPAC name is [3-ethyl-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)pentyl]hydrazine.

Molecular Properties

Compound Name[3-ethyl-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)pentyl]hydrazine
PubChem CID105330949
Molecular FormulaC16H28N2S
Molecular Weight280.48 g/mol
Exact Mass280.20
IUPAC Name[3-ethyl-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)pentyl]hydrazine
SMILESCCC(CC)CC(NN)c1cc2c(s1)CCCCC2
InChIInChI=1S/C16H28N2S/c1-3-12(4-2)10-14(18-17)16-11-13-8-6-5-7-9-15(13)19-16/h11-12,14,18H,3-10,17H2,1-2H3
InChIKeyKUKHCRVDIURGTA-UHFFFAOYSA-N
XLogP4.35
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.48
LogP ≤ 54.35
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

3-ethyl-N-propyl-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)pentan-1-amine
CID 105028097
3-ethyl-N-propyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pentan-1-amine
CID 105028115
1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)pentylhydrazine
CID 105293687
[2-cyclobutyl-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)ethyl]hydrazine
CID 105309957
[5-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)hexyl]hydrazine
CID 105331199
1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)but-3-enylhydrazine
CID 105289523
N-ethyl-3-methyl-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)butan-1-amine
CID 115781972
1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)undecylhydrazine
CID 105298347
1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)hex-4-ynylhydrazine
CID 105334885
[1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-4,4-dimethylpentyl]hydrazine
CID 105299986
[2-(4-chlorophenyl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethyl]hydrazine
CID 105283232
2-cyclopentyl-N-ethyl-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)ethanamine
CID 115847120

Frequently Asked Questions

What is the IUPAC name of [3-ethyl-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)pentyl]hydrazine?
The IUPAC name of [3-ethyl-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)pentyl]hydrazine (CID 105330949) is [3-ethyl-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)pentyl]hydrazine.
What is the SMILES notation for [3-ethyl-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)pentyl]hydrazine?
The canonical SMILES for [3-ethyl-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)pentyl]hydrazine is CCC(CC)CC(NN)c1cc2c(s1)CCCCC2.
What is the InChIKey of [3-ethyl-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)pentyl]hydrazine?
The InChIKey is KUKHCRVDIURGTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2S/c1-3-12(4-2)10-14(18-17)16-11-13-8-6-5-7-9-15(13)19-16/h11-12,14,18H,3-10,17H2,1-2H3.
What are the key properties of [3-ethyl-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)pentyl]hydrazine?
[3-ethyl-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)pentyl]hydrazine has a molecular weight of 280.48 g/mol, XLogP of 4.35, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-ethyl-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)pentyl]hydrazine is sourced from PubChem (CID 105330949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).