4-(2-methylbutan-2-yl)-2-methylsulfanylcyclohexan-1-amine

C12H25NS — CID 64628286

IUPAC4-(2-methylbutan-2-yl)-2-methylsulfanylcyclohexan-1-amine
SMILESCCC(C)(C)C1CCC(N)C(SC)C1
InChIInChI=1S/C12H25NS/c1-5-12(2,3)9-6-7-10(13)11(8-9)14-4/h9-11H,5-8,13H2,1-4H3
InChIKeyJLJZREVVWFSUKA-UHFFFAOYSA-N
MW215.41 g/mol
LogP3.28
Rot. Bonds3

About 4-(2-methylbutan-2-yl)-2-methylsulfanylcyclohexan-1-amine

4-(2-methylbutan-2-yl)-2-methylsulfanylcyclohexan-1-amine (PubChem CID 64628286) has the molecular formula C12H25NS and a molecular weight of 215.41 g/mol. Its IUPAC name is 4-(2-methylbutan-2-yl)-2-methylsulfanylcyclohexan-1-amine.

Molecular Properties

Compound Name4-(2-methylbutan-2-yl)-2-methylsulfanylcyclohexan-1-amine
PubChem CID64628286
Molecular FormulaC12H25NS
Molecular Weight215.41 g/mol
Exact Mass215.17
IUPAC Name4-(2-methylbutan-2-yl)-2-methylsulfanylcyclohexan-1-amine
SMILESCCC(C)(C)C1CCC(N)C(SC)C1
InChIInChI=1S/C12H25NS/c1-5-12(2,3)9-6-7-10(13)11(8-9)14-4/h9-11H,5-8,13H2,1-4H3
InChIKeyJLJZREVVWFSUKA-UHFFFAOYSA-N
XLogP3.28
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.41
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-methylbutan-2-yl)-2-methylsulfanyl-N-propylcyclohexan-1-amine
CID 64625882
[2-tert-butylsulfanyl-4-(2-methylbutan-2-yl)cyclohexyl]methanamine
CID 43530062
2-(2-methoxyphenyl)sulfanyl-4-(2-methylbutan-2-yl)cyclohexan-1-amine
CID 64627123
4-tert-butyl-2-ethylsulfanylcyclohexan-1-amine
CID 64612553
2-N-(2,2-dimethylpropyl)-2-N-methyl-4-(2-methylbutan-2-yl)cyclohexane-1,2-diamine
CID 63470173
2-(2-cyclobutylethoxy)-4-(2-methylbutan-2-yl)cyclohexan-1-amine
CID 106200952
1-ethyl-3-(2-methylbutan-2-yl)cyclopentane
CID 123901390
ethyl 2-(2-amino-5-tert-butylcyclohexyl)sulfanylacetate
CID 64613761
2-(2,4-dimethylpiperidin-1-yl)-4-(2-methylbutan-2-yl)cyclohexan-1-amine
CID 63468218
3-[2-(methylamino)-5-(2-methylbutan-2-yl)cyclohexyl]sulfanylpropan-1-ol
CID 66126855
1-tert-butyl-4-(2-methylbutan-2-yl)cyclohexane
CID 57162506
N-methyl-4-(2-methylbutan-2-yl)-2-(2-methylbutylsulfanyl)cyclohexan-1-amine
CID 107763602

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylbutan-2-yl)-2-methylsulfanylcyclohexan-1-amine?
The IUPAC name of 4-(2-methylbutan-2-yl)-2-methylsulfanylcyclohexan-1-amine (CID 64628286) is 4-(2-methylbutan-2-yl)-2-methylsulfanylcyclohexan-1-amine.
What is the SMILES notation for 4-(2-methylbutan-2-yl)-2-methylsulfanylcyclohexan-1-amine?
The canonical SMILES for 4-(2-methylbutan-2-yl)-2-methylsulfanylcyclohexan-1-amine is CCC(C)(C)C1CCC(N)C(SC)C1.
What is the InChIKey of 4-(2-methylbutan-2-yl)-2-methylsulfanylcyclohexan-1-amine?
The InChIKey is JLJZREVVWFSUKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NS/c1-5-12(2,3)9-6-7-10(13)11(8-9)14-4/h9-11H,5-8,13H2,1-4H3.
What are the key properties of 4-(2-methylbutan-2-yl)-2-methylsulfanylcyclohexan-1-amine?
4-(2-methylbutan-2-yl)-2-methylsulfanylcyclohexan-1-amine has a molecular weight of 215.41 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylbutan-2-yl)-2-methylsulfanylcyclohexan-1-amine is sourced from PubChem (CID 64628286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).