[7-bicyclo[4.1.0]heptanyl-(5-methylthiophen-3-yl)methyl]hydrazine

C13H20N2S — CID 105313323

IUPAC[7-bicyclo[4.1.0]heptanyl-(5-methylthiophen-3-yl)methyl]hydrazine
SMILESCc1cc(C(NN)C2C3CCCCC32)cs1
InChIInChI=1S/C13H20N2S/c1-8-6-9(7-16-8)13(15-14)12-10-4-2-3-5-11(10)12/h6-7,10-13,15H,2-5,14H2,1H3
InChIKeyOCKSZUUMRXNCLL-UHFFFAOYSA-N
MW236.38 g/mol
LogP3.00
Rot. Bonds3

About [7-bicyclo[4.1.0]heptanyl-(5-methylthiophen-3-yl)methyl]hydrazine

[7-bicyclo[4.1.0]heptanyl-(5-methylthiophen-3-yl)methyl]hydrazine (PubChem CID 105313323) has the molecular formula C13H20N2S and a molecular weight of 236.38 g/mol. Its IUPAC name is [7-bicyclo[4.1.0]heptanyl-(5-methylthiophen-3-yl)methyl]hydrazine.

Molecular Properties

Compound Name[7-bicyclo[4.1.0]heptanyl-(5-methylthiophen-3-yl)methyl]hydrazine
PubChem CID105313323
Molecular FormulaC13H20N2S
Molecular Weight236.38 g/mol
Exact Mass236.13
IUPAC Name[7-bicyclo[4.1.0]heptanyl-(5-methylthiophen-3-yl)methyl]hydrazine
SMILESCc1cc(C(NN)C2C3CCCCC32)cs1
InChIInChI=1S/C13H20N2S/c1-8-6-9(7-16-8)13(15-14)12-10-4-2-3-5-11(10)12/h6-7,10-13,15H,2-5,14H2,1H3
InChIKeyOCKSZUUMRXNCLL-UHFFFAOYSA-N
XLogP3.00
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.38
LogP ≤ 53.00
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'}

Analyze [7-bicyclo[4.1.0]heptanyl-(5-methylthiophen-3-yl)methyl]hydrazine with MolForge

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Related Compounds

[cyclopentyl-(5-methylthiophen-3-yl)methyl]hydrazine
CID 105204481
[(5-methyloxolan-2-yl)-(5-methylthiophen-3-yl)methyl]hydrazine
CID 105313359
[(5-methylthiophen-3-yl)-[4-(trifluoromethyl)cyclohexyl]methyl]hydrazine
CID 105313336
1-cycloheptyl-N-methyl-1-(5-methylthiophen-3-yl)methanamine
CID 65399489
[6-bicyclo[3.1.0]hexanyl-(3,4-dimethylphenyl)methyl]hydrazine
CID 105300274
[(5-methylthiophen-3-yl)-(4-propylcyclohexyl)methyl]hydrazine
CID 105232352
[7-bicyclo[4.1.0]heptanyl(pyrimidin-5-yl)methyl]hydrazine
CID 105292201
[7-bicyclo[4.1.0]heptanyl-(3,4-difluorophenyl)methyl]hydrazine
CID 105304990
[3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-(5-methylthiophen-3-yl)methyl]hydrazine
CID 105245175
N-[cyclooctyl-(5-methylthiophen-3-yl)methyl]propan-1-amine
CID 80609279
2-cyclopentyl-N-methyl-1-(5-methylthiophen-3-yl)ethanamine
CID 104991619
N-methyl-1-(2-methylcyclopentyl)-1-(5-methylthiophen-3-yl)methanamine
CID 107189272

Frequently Asked Questions

What is the IUPAC name of [7-bicyclo[4.1.0]heptanyl-(5-methylthiophen-3-yl)methyl]hydrazine?
The IUPAC name of [7-bicyclo[4.1.0]heptanyl-(5-methylthiophen-3-yl)methyl]hydrazine (CID 105313323) is [7-bicyclo[4.1.0]heptanyl-(5-methylthiophen-3-yl)methyl]hydrazine.
What is the SMILES notation for [7-bicyclo[4.1.0]heptanyl-(5-methylthiophen-3-yl)methyl]hydrazine?
The canonical SMILES for [7-bicyclo[4.1.0]heptanyl-(5-methylthiophen-3-yl)methyl]hydrazine is Cc1cc(C(NN)C2C3CCCCC32)cs1.
What is the InChIKey of [7-bicyclo[4.1.0]heptanyl-(5-methylthiophen-3-yl)methyl]hydrazine?
The InChIKey is OCKSZUUMRXNCLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2S/c1-8-6-9(7-16-8)13(15-14)12-10-4-2-3-5-11(10)12/h6-7,10-13,15H,2-5,14H2,1H3.
What are the key properties of [7-bicyclo[4.1.0]heptanyl-(5-methylthiophen-3-yl)methyl]hydrazine?
[7-bicyclo[4.1.0]heptanyl-(5-methylthiophen-3-yl)methyl]hydrazine has a molecular weight of 236.38 g/mol, XLogP of 3.00, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [7-bicyclo[4.1.0]heptanyl-(5-methylthiophen-3-yl)methyl]hydrazine is sourced from PubChem (CID 105313323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).