2-cyclohexyl-1-(2-methylthiophen-3-yl)ethanamine

C13H21NS — CID 102841282

IUPAC2-cyclohexyl-1-(2-methylthiophen-3-yl)ethanamine
SMILESCc1sccc1C(N)CC1CCCCC1
InChIInChI=1S/C13H21NS/c1-10-12(7-8-15-10)13(14)9-11-5-3-2-4-6-11/h7-8,11,13H,2-6,9,14H2,1H3
InChIKeyDHQVLRASQGGTOC-UHFFFAOYSA-N
MW223.38 g/mol
LogP4.03
Rot. Bonds3

About 2-cyclohexyl-1-(2-methylthiophen-3-yl)ethanamine

2-cyclohexyl-1-(2-methylthiophen-3-yl)ethanamine (PubChem CID 102841282) has the molecular formula C13H21NS and a molecular weight of 223.38 g/mol. Its IUPAC name is 2-cyclohexyl-1-(2-methylthiophen-3-yl)ethanamine.

Molecular Properties

Compound Name2-cyclohexyl-1-(2-methylthiophen-3-yl)ethanamine
PubChem CID102841282
Molecular FormulaC13H21NS
Molecular Weight223.38 g/mol
Exact Mass223.14
IUPAC Name2-cyclohexyl-1-(2-methylthiophen-3-yl)ethanamine
SMILESCc1sccc1C(N)CC1CCCCC1
InChIInChI=1S/C13H21NS/c1-10-12(7-8-15-10)13(14)9-11-5-3-2-4-6-11/h7-8,11,13H,2-6,9,14H2,1H3
InChIKeyDHQVLRASQGGTOC-UHFFFAOYSA-N
XLogP4.03
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.38
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclohexyl-1-(2-methylthiophen-3-yl)ethanol
CID 102829334
2-cyclohexyl-1-(2,3-difluoro-4-methylphenyl)ethanamine
CID 107515963
1-(5-bromo-2-methylthiophen-3-yl)-2-cyclobutylethanamine
CID 103163188
2-cyclopentyl-1-thiophen-2-ylethanamine
CID 43823389
2-cyclobutyl-1-(3-ethylthiophen-2-yl)ethanamine
CID 115863467
2-cyclopentyl-1-(2,4-dimethylphenyl)ethanamine
CID 43825536
1-(5-bromo-2-methylphenyl)-2-cyclohexylethanamine
CID 115842257
(1R)-1-(2-methylthiophen-3-yl)ethanamine
CID 46839608
1-(2-methylthiophen-3-yl)-2-propan-2-yloxyethanamine
CID 102842113
3-cyclopentyl-1-(2-methylthiophen-3-yl)propan-1-ol
CID 102842471
1-(4-bromo-2-methylphenyl)-2-cyclopentylethanamine
CID 115847235
2-cyclohexyl-1-(2,5-dibromo-4-methylphenyl)ethanamine
CID 81473835

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-1-(2-methylthiophen-3-yl)ethanamine?
The IUPAC name of 2-cyclohexyl-1-(2-methylthiophen-3-yl)ethanamine (CID 102841282) is 2-cyclohexyl-1-(2-methylthiophen-3-yl)ethanamine.
What is the SMILES notation for 2-cyclohexyl-1-(2-methylthiophen-3-yl)ethanamine?
The canonical SMILES for 2-cyclohexyl-1-(2-methylthiophen-3-yl)ethanamine is Cc1sccc1C(N)CC1CCCCC1.
What is the InChIKey of 2-cyclohexyl-1-(2-methylthiophen-3-yl)ethanamine?
The InChIKey is DHQVLRASQGGTOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NS/c1-10-12(7-8-15-10)13(14)9-11-5-3-2-4-6-11/h7-8,11,13H,2-6,9,14H2,1H3.
What are the key properties of 2-cyclohexyl-1-(2-methylthiophen-3-yl)ethanamine?
2-cyclohexyl-1-(2-methylthiophen-3-yl)ethanamine has a molecular weight of 223.38 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1-(2-methylthiophen-3-yl)ethanamine is sourced from PubChem (CID 102841282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).