ethane;4-methyl-N-(2-methylsulfanylethyl)cyclohexan-1-amine

C12H27NS — CID 154694563

IUPACethane;4-methyl-N-(2-methylsulfanylethyl)cyclohexan-1-amine
SMILESCC.CSCCNC1CCC(C)CC1
InChIInChI=1S/C10H21NS.C2H6/c1-9-3-5-10(6-4-9)11-7-8-12-2;1-2/h9-11H,3-8H2,1-2H3;1-2H3
InChIKeyZBVSLJATFIOPLF-UHFFFAOYSA-N
MW217.42 g/mol
LogP3.54
Rot. Bonds4

About ethane;4-methyl-N-(2-methylsulfanylethyl)cyclohexan-1-amine

ethane;4-methyl-N-(2-methylsulfanylethyl)cyclohexan-1-amine (PubChem CID 154694563) has the molecular formula C12H27NS and a molecular weight of 217.42 g/mol. Its IUPAC name is ethane;4-methyl-N-(2-methylsulfanylethyl)cyclohexan-1-amine.

Molecular Properties

Compound Nameethane;4-methyl-N-(2-methylsulfanylethyl)cyclohexan-1-amine
PubChem CID154694563
Molecular FormulaC12H27NS
Molecular Weight217.42 g/mol
Exact Mass217.19
IUPAC Nameethane;4-methyl-N-(2-methylsulfanylethyl)cyclohexan-1-amine
SMILESCC.CSCCNC1CCC(C)CC1
InChIInChI=1S/C10H21NS.C2H6/c1-9-3-5-10(6-4-9)11-7-8-12-2;1-2/h9-11H,3-8H2,1-2H3;1-2H3
InChIKeyZBVSLJATFIOPLF-UHFFFAOYSA-N
XLogP3.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.42
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[2-(4-Fluorocyclohexyl)sulfanylethyl]-2-methylpiperidine
CID 140640625
4-methyl-N-propylcyclohexan-1-amine
CID 12815119
N-[(2R)-2-(methylsulfanylmethyl)butyl]cyclohexanamine
CID 100920931
8-Methyl-1-thia-4-azaspiro[4.5]decane
CID 208011
N-(3-methylsulfanylpropyl)-3-(trifluoromethyl)cyclohexan-1-amine
CID 43434423
N-(3-methylsulfanylpropyl)-2-(trifluoromethyl)cyclohexan-1-amine
CID 43434511
N-(3-methylsulfanylpropyl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 43434639
N-(2-methylsulfanylethyl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 64755686
N-(2-methyl-3-methylsulfanylpropyl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 64755687
N-(2-methylsulfanylethyl)-2-(trifluoromethyl)cyclohexan-1-amine
CID 64758290
N-(2-methyl-3-methylsulfanylpropyl)-2-(trifluoromethyl)cyclohexan-1-amine
CID 64758494
N-(2-methylsulfanylethyl)-3-(trifluoromethyl)cyclohexan-1-amine
CID 64760023

Frequently Asked Questions

What is the IUPAC name of ethane;4-methyl-N-(2-methylsulfanylethyl)cyclohexan-1-amine?
The IUPAC name of ethane;4-methyl-N-(2-methylsulfanylethyl)cyclohexan-1-amine (CID 154694563) is ethane;4-methyl-N-(2-methylsulfanylethyl)cyclohexan-1-amine.
What is the SMILES notation for ethane;4-methyl-N-(2-methylsulfanylethyl)cyclohexan-1-amine?
The canonical SMILES for ethane;4-methyl-N-(2-methylsulfanylethyl)cyclohexan-1-amine is CC.CSCCNC1CCC(C)CC1.
What is the InChIKey of ethane;4-methyl-N-(2-methylsulfanylethyl)cyclohexan-1-amine?
The InChIKey is ZBVSLJATFIOPLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NS.C2H6/c1-9-3-5-10(6-4-9)11-7-8-12-2;1-2/h9-11H,3-8H2,1-2H3;1-2H3.
What are the key properties of ethane;4-methyl-N-(2-methylsulfanylethyl)cyclohexan-1-amine?
ethane;4-methyl-N-(2-methylsulfanylethyl)cyclohexan-1-amine has a molecular weight of 217.42 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-methyl-N-(2-methylsulfanylethyl)cyclohexan-1-amine is sourced from PubChem (CID 154694563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).