[2-bicyclo[2.2.1]heptanyl-(5-methylthiophen-2-yl)methyl]hydrazine

C13H20N2S — CID 105266667

IUPAC[2-bicyclo[2.2.1]heptanyl-(5-methylthiophen-2-yl)methyl]hydrazine
SMILESCc1ccc(C(NN)C2CC3CCC2C3)s1
InChIInChI=1S/C13H20N2S/c1-8-2-5-12(16-8)13(15-14)11-7-9-3-4-10(11)6-9/h2,5,9-11,13,15H,3-4,6-7,14H2,1H3
InChIKeyCPXHQVPJCQBMBU-UHFFFAOYSA-N
MW236.38 g/mol
LogP3.00
Rot. Bonds3

About [2-bicyclo[2.2.1]heptanyl-(5-methylthiophen-2-yl)methyl]hydrazine

[2-bicyclo[2.2.1]heptanyl-(5-methylthiophen-2-yl)methyl]hydrazine (PubChem CID 105266667) has the molecular formula C13H20N2S and a molecular weight of 236.38 g/mol. Its IUPAC name is [2-bicyclo[2.2.1]heptanyl-(5-methylthiophen-2-yl)methyl]hydrazine.

Molecular Properties

Compound Name[2-bicyclo[2.2.1]heptanyl-(5-methylthiophen-2-yl)methyl]hydrazine
PubChem CID105266667
Molecular FormulaC13H20N2S
Molecular Weight236.38 g/mol
Exact Mass236.13
IUPAC Name[2-bicyclo[2.2.1]heptanyl-(5-methylthiophen-2-yl)methyl]hydrazine
SMILESCc1ccc(C(NN)C2CC3CCC2C3)s1
InChIInChI=1S/C13H20N2S/c1-8-2-5-12(16-8)13(15-14)11-7-9-3-4-10(11)6-9/h2,5,9-11,13,15H,3-4,6-7,14H2,1H3
InChIKeyCPXHQVPJCQBMBU-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'}

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Related Compounds

N-[2-bicyclo[2.2.1]heptanyl-(5-methylthiophen-2-yl)methyl]ethanamine
CID 61364743
1-(2-bicyclo[2.2.1]heptanyl)-1-(5-bromothiophen-2-yl)-N-methylmethanamine
CID 61363969
[(3,5-dimethylcyclohexyl)-(5-methylthiophen-2-yl)methyl]hydrazine
CID 105312147
[2-bicyclo[2.2.1]heptanyl-(3-fluoro-4-methylphenyl)methyl]hydrazine
CID 107130879
[(4-tert-butylcyclohexyl)-(5-methylthiophen-2-yl)methyl]hydrazine
CID 105232678
[2-bicyclo[2.2.1]heptanyl-(2,6-dimethoxyphenyl)methyl]hydrazine
CID 105266791
N-[2-bicyclo[2.2.1]heptanyl-(5-ethylthiophen-2-yl)methyl]propan-1-amine
CID 63504191
[2,3-dihydro-1H-inden-1-yl-(5-methylthiophen-2-yl)methyl]hydrazine
CID 105234388
[2-bicyclo[2.2.1]heptanyl-(7-methyl-1-benzofuran-2-yl)methyl]hydrazine
CID 105266605
[2-bicyclo[2.2.1]heptanyl(naphthalen-1-yl)methyl]hydrazine
CID 105266833
N-methyl-1-(2-methylcyclopentyl)-1-(5-methylthiophen-2-yl)methanamine
CID 107177150
[1,4-diazabicyclo[2.2.2]octan-2-yl-(5-methylthiophen-2-yl)methyl]hydrazine
CID 105249920

Frequently Asked Questions

What is the IUPAC name of [2-bicyclo[2.2.1]heptanyl-(5-methylthiophen-2-yl)methyl]hydrazine?
The IUPAC name of [2-bicyclo[2.2.1]heptanyl-(5-methylthiophen-2-yl)methyl]hydrazine (CID 105266667) is [2-bicyclo[2.2.1]heptanyl-(5-methylthiophen-2-yl)methyl]hydrazine.
What is the SMILES notation for [2-bicyclo[2.2.1]heptanyl-(5-methylthiophen-2-yl)methyl]hydrazine?
The canonical SMILES for [2-bicyclo[2.2.1]heptanyl-(5-methylthiophen-2-yl)methyl]hydrazine is Cc1ccc(C(NN)C2CC3CCC2C3)s1.
What is the InChIKey of [2-bicyclo[2.2.1]heptanyl-(5-methylthiophen-2-yl)methyl]hydrazine?
The InChIKey is CPXHQVPJCQBMBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2S/c1-8-2-5-12(16-8)13(15-14)11-7-9-3-4-10(11)6-9/h2,5,9-11,13,15H,3-4,6-7,14H2,1H3.
What are the key properties of [2-bicyclo[2.2.1]heptanyl-(5-methylthiophen-2-yl)methyl]hydrazine?
[2-bicyclo[2.2.1]heptanyl-(5-methylthiophen-2-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 [2-bicyclo[2.2.1]heptanyl-(5-methylthiophen-2-yl)methyl]hydrazine is sourced from PubChem (CID 105266667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).