1-(2-ethylcyclohexyl)sulfanyl-2-methylpropan-2-amine

C12H25NS — CID 66221451

IUPAC1-(2-ethylcyclohexyl)sulfanyl-2-methylpropan-2-amine
SMILESCCC1CCCCC1SCC(C)(C)N
InChIInChI=1S/C12H25NS/c1-4-10-7-5-6-8-11(10)14-9-12(2,3)13/h10-11H,4-9,13H2,1-3H3
InChIKeyRCGFMONRUNJUPM-UHFFFAOYSA-N
MW215.41 g/mol
LogP3.43
Rot. Bonds4

About 1-(2-ethylcyclohexyl)sulfanyl-2-methylpropan-2-amine

1-(2-ethylcyclohexyl)sulfanyl-2-methylpropan-2-amine (PubChem CID 66221451) has the molecular formula C12H25NS and a molecular weight of 215.41 g/mol. Its IUPAC name is 1-(2-ethylcyclohexyl)sulfanyl-2-methylpropan-2-amine.

Molecular Properties

Compound Name1-(2-ethylcyclohexyl)sulfanyl-2-methylpropan-2-amine
PubChem CID66221451
Molecular FormulaC12H25NS
Molecular Weight215.41 g/mol
Exact Mass215.17
IUPAC Name1-(2-ethylcyclohexyl)sulfanyl-2-methylpropan-2-amine
SMILESCCC1CCCCC1SCC(C)(C)N
InChIInChI=1S/C12H25NS/c1-4-10-7-5-6-8-11(10)14-9-12(2,3)13/h10-11H,4-9,13H2,1-3H3
InChIKeyRCGFMONRUNJUPM-UHFFFAOYSA-N
XLogP3.43
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.41
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-ethylcyclohexyl)sulfanylpropan-1-amine
CID 66219569
2-(2-ethylcyclohexyl)sulfanylacetic acid
CID 63862645
(2S)-2-amino-3-(2-ethylcyclohexyl)sulfanyl-3-methylbutanoic acid
CID 106443067
1-(4-ethylcyclohexyl)sulfanyl-2-methylpropan-2-amine
CID 66228083
[(1S,2R)-2-ethylcyclohexyl]methanamine
CID 124508805
2-amino-4-(2-ethylcyclohexyl)sulfanylbutanoic acid
CID 63863409
CID 160611346
CID 160611346
3-(2-ethylcyclohexyl)sulfanylbutan-1-amine
CID 66231198
1-ethyl-2-[2-(2-ethylcyclohexyl)propan-2-yl]cyclohexane
CID 154060366
3-(2-ethylcyclohexyl)pentan-3-amine
CID 63861274
[2-(2-methylpropylsulfanyl)cycloheptyl]methanamine
CID 43529827
2-(2-ethylcyclohexyl)-3-methylpentan-2-amine
CID 63861635

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylcyclohexyl)sulfanyl-2-methylpropan-2-amine?
The IUPAC name of 1-(2-ethylcyclohexyl)sulfanyl-2-methylpropan-2-amine (CID 66221451) is 1-(2-ethylcyclohexyl)sulfanyl-2-methylpropan-2-amine.
What is the SMILES notation for 1-(2-ethylcyclohexyl)sulfanyl-2-methylpropan-2-amine?
The canonical SMILES for 1-(2-ethylcyclohexyl)sulfanyl-2-methylpropan-2-amine is CCC1CCCCC1SCC(C)(C)N.
What is the InChIKey of 1-(2-ethylcyclohexyl)sulfanyl-2-methylpropan-2-amine?
The InChIKey is RCGFMONRUNJUPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NS/c1-4-10-7-5-6-8-11(10)14-9-12(2,3)13/h10-11H,4-9,13H2,1-3H3.
What are the key properties of 1-(2-ethylcyclohexyl)sulfanyl-2-methylpropan-2-amine?
1-(2-ethylcyclohexyl)sulfanyl-2-methylpropan-2-amine has a molecular weight of 215.41 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylcyclohexyl)sulfanyl-2-methylpropan-2-amine is sourced from PubChem (CID 66221451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).