[(3-methylcyclohexyl)-(thian-2-yl)methyl]hydrazine

C13H26N2S — CID 105255721

IUPAC[(3-methylcyclohexyl)-(thian-2-yl)methyl]hydrazine
SMILESCC1CCCC(C(NN)C2CCCCS2)C1
InChIInChI=1S/C13H26N2S/c1-10-5-4-6-11(9-10)13(15-14)12-7-2-3-8-16-12/h10-13,15H,2-9,14H2,1H3
InChIKeyCTCJWKBPYPBBDW-UHFFFAOYSA-N
MW242.43 g/mol
LogP2.93
Rot. Bonds3

About [(3-methylcyclohexyl)-(thian-2-yl)methyl]hydrazine

[(3-methylcyclohexyl)-(thian-2-yl)methyl]hydrazine (PubChem CID 105255721) has the molecular formula C13H26N2S and a molecular weight of 242.43 g/mol. Its IUPAC name is [(3-methylcyclohexyl)-(thian-2-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(3-methylcyclohexyl)-(thian-2-yl)methyl]hydrazine
PubChem CID105255721
Molecular FormulaC13H26N2S
Molecular Weight242.43 g/mol
Exact Mass242.18
IUPAC Name[(3-methylcyclohexyl)-(thian-2-yl)methyl]hydrazine
SMILESCC1CCCC(C(NN)C2CCCCS2)C1
InChIInChI=1S/C13H26N2S/c1-10-5-4-6-11(9-10)13(15-14)12-7-2-3-8-16-12/h10-13,15H,2-9,14H2,1H3
InChIKeyCTCJWKBPYPBBDW-UHFFFAOYSA-N
XLogP2.93
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.43
LogP ≤ 52.93
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

[cyclopentyl(thian-2-yl)methyl]hydrazine
CID 105255702
[cyclobutyl-(3-methylcyclohexyl)methyl]hydrazine
CID 105210413
[(3-methylcyclohexyl)-[3-(trifluoromethyl)cyclohexyl]methyl]hydrazine
CID 105313580
1-cycloheptyl-N-methyl-1-(3-methylcyclohexyl)methanamine
CID 65399795
N-[cyclopentyl-(3-methylcyclohexyl)methyl]ethanamine
CID 63415340
(3,5-dimethylcyclohexyl)-(thiolan-2-yl)methanamine
CID 80621651
[2,3-dihydro-1-benzothiophen-3-yl-(3-methylcyclohexyl)methyl]hydrazine
CID 105313541
[1-adamantyl-(3-methylcyclohexyl)methyl]hydrazine
CID 105214417
[7-bicyclo[4.2.0]octa-1,3,5-trienyl-(3-methylcyclohexyl)methyl]hydrazine
CID 105224673
[1-oxaspiro[5.5]undecan-4-yl(thiolan-2-yl)methyl]hydrazine
CID 105255583
N-[(3-methylsulfonylcyclohexyl)-(thian-2-yl)methyl]propan-1-amine
CID 80627783
1-(thiolan-2-yl)ethylhydrazine
CID 105255514

Frequently Asked Questions

What is the IUPAC name of [(3-methylcyclohexyl)-(thian-2-yl)methyl]hydrazine?
The IUPAC name of [(3-methylcyclohexyl)-(thian-2-yl)methyl]hydrazine (CID 105255721) is [(3-methylcyclohexyl)-(thian-2-yl)methyl]hydrazine.
What is the SMILES notation for [(3-methylcyclohexyl)-(thian-2-yl)methyl]hydrazine?
The canonical SMILES for [(3-methylcyclohexyl)-(thian-2-yl)methyl]hydrazine is CC1CCCC(C(NN)C2CCCCS2)C1.
What is the InChIKey of [(3-methylcyclohexyl)-(thian-2-yl)methyl]hydrazine?
The InChIKey is CTCJWKBPYPBBDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2S/c1-10-5-4-6-11(9-10)13(15-14)12-7-2-3-8-16-12/h10-13,15H,2-9,14H2,1H3.
What are the key properties of [(3-methylcyclohexyl)-(thian-2-yl)methyl]hydrazine?
[(3-methylcyclohexyl)-(thian-2-yl)methyl]hydrazine has a molecular weight of 242.43 g/mol, XLogP of 2.93, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3-methylcyclohexyl)-(thian-2-yl)methyl]hydrazine is sourced from PubChem (CID 105255721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).