2-cyclohexylsulfanyl-1-(2,3-dimethylimidazol-4-yl)ethanamine

C13H23N3S — CID 114283418

IUPAC2-cyclohexylsulfanyl-1-(2,3-dimethylimidazol-4-yl)ethanamine
SMILESCc1ncc(C(N)CSC2CCCCC2)n1C
InChIInChI=1S/C13H23N3S/c1-10-15-8-13(16(10)2)12(14)9-17-11-6-4-3-5-7-11/h8,11-12H,3-7,9,14H2,1-2H3
InChIKeyKXPBTKXDDDVWEP-UHFFFAOYSA-N
MW253.41 g/mol
LogP2.79
Rot. Bonds4

About 2-cyclohexylsulfanyl-1-(2,3-dimethylimidazol-4-yl)ethanamine

2-cyclohexylsulfanyl-1-(2,3-dimethylimidazol-4-yl)ethanamine (PubChem CID 114283418) has the molecular formula C13H23N3S and a molecular weight of 253.41 g/mol. Its IUPAC name is 2-cyclohexylsulfanyl-1-(2,3-dimethylimidazol-4-yl)ethanamine.

Molecular Properties

Compound Name2-cyclohexylsulfanyl-1-(2,3-dimethylimidazol-4-yl)ethanamine
PubChem CID114283418
Molecular FormulaC13H23N3S
Molecular Weight253.41 g/mol
Exact Mass253.16
IUPAC Name2-cyclohexylsulfanyl-1-(2,3-dimethylimidazol-4-yl)ethanamine
SMILESCc1ncc(C(N)CSC2CCCCC2)n1C
InChIInChI=1S/C13H23N3S/c1-10-15-8-13(16(10)2)12(14)9-17-11-6-4-3-5-7-11/h8,11-12H,3-7,9,14H2,1-2H3
InChIKeyKXPBTKXDDDVWEP-UHFFFAOYSA-N
XLogP2.79
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopentylsulfanyl-1-(3-propyltriazol-4-yl)ethanamine
CID 114687956
2-cyclopentylsulfanyl-1-(1-methylpyrazol-4-yl)ethanamine
CID 65138602
2-cyclopentylsulfanyl-1-(1-ethylimidazol-2-yl)ethanamine
CID 65138714
3-(1-amino-2-cyclopentylsulfanylethyl)-5-methylpyridin-2-amine
CID 65138767
2-cyclohexylsulfanyl-1-(2,4,5-trimethylphenyl)ethanamine
CID 65139652
2-cyclohexylsulfanyl-1-(3-methylphenyl)ethanamine
CID 64633626
2-cyclopentylsulfanyl-1-(3-methylthiophen-2-yl)ethanamine
CID 79988031
(2,3-dimethylimidazol-4-yl)-(oxolan-3-yl)methanamine
CID 130518971
(2,3-dimethylimidazol-4-yl)-(1,4-dimethylpiperazin-2-yl)methanamine
CID 114283429
1-(cyclohexen-1-yl)-2-cyclohexylsulfanylethanamine
CID 106653178
2-cyclohexylsulfanyl-1-isoquinolin-4-ylethanamine
CID 65139951
2-cyclopentylsulfanyl-1-(2-fluoro-5-methylphenyl)ethanamine
CID 65138658

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexylsulfanyl-1-(2,3-dimethylimidazol-4-yl)ethanamine?
The IUPAC name of 2-cyclohexylsulfanyl-1-(2,3-dimethylimidazol-4-yl)ethanamine (CID 114283418) is 2-cyclohexylsulfanyl-1-(2,3-dimethylimidazol-4-yl)ethanamine.
What is the SMILES notation for 2-cyclohexylsulfanyl-1-(2,3-dimethylimidazol-4-yl)ethanamine?
The canonical SMILES for 2-cyclohexylsulfanyl-1-(2,3-dimethylimidazol-4-yl)ethanamine is Cc1ncc(C(N)CSC2CCCCC2)n1C.
What is the InChIKey of 2-cyclohexylsulfanyl-1-(2,3-dimethylimidazol-4-yl)ethanamine?
The InChIKey is KXPBTKXDDDVWEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3S/c1-10-15-8-13(16(10)2)12(14)9-17-11-6-4-3-5-7-11/h8,11-12H,3-7,9,14H2,1-2H3.
What are the key properties of 2-cyclohexylsulfanyl-1-(2,3-dimethylimidazol-4-yl)ethanamine?
2-cyclohexylsulfanyl-1-(2,3-dimethylimidazol-4-yl)ethanamine has a molecular weight of 253.41 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexylsulfanyl-1-(2,3-dimethylimidazol-4-yl)ethanamine is sourced from PubChem (CID 114283418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).