(1R)-1-cyclohexyl-N-[1-(5-methylthiophen-2-yl)ethyl]ethanamine

C15H25NS — CID 81384118

IUPAC(1R)-1-cyclohexyl-N-[1-(5-methylthiophen-2-yl)ethyl]ethanamine
SMILESCc1ccc(C(C)N[C@H](C)C2CCCCC2)s1
InChIInChI=1S/C15H25NS/c1-11-9-10-15(17-11)13(3)16-12(2)14-7-5-4-6-8-14/h9-10,12-14,16H,4-8H2,1-3H3/t12-,13?/m1/s1
InChIKeyHJLLJHDLNJCFTL-PZORYLMUSA-N
MW251.44 g/mol
LogP4.68
Rot. Bonds4

About (1R)-1-cyclohexyl-N-[1-(5-methylthiophen-2-yl)ethyl]ethanamine

(1R)-1-cyclohexyl-N-[1-(5-methylthiophen-2-yl)ethyl]ethanamine (PubChem CID 81384118) has the molecular formula C15H25NS and a molecular weight of 251.44 g/mol. Its IUPAC name is (1R)-1-cyclohexyl-N-[1-(5-methylthiophen-2-yl)ethyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-cyclohexyl-N-[1-(5-methylthiophen-2-yl)ethyl]ethanamine
PubChem CID81384118
Molecular FormulaC15H25NS
Molecular Weight251.44 g/mol
Exact Mass251.17
IUPAC Name(1R)-1-cyclohexyl-N-[1-(5-methylthiophen-2-yl)ethyl]ethanamine
SMILESCc1ccc(C(C)N[C@H](C)C2CCCCC2)s1
InChIInChI=1S/C15H25NS/c1-11-9-10-15(17-11)13(3)16-12(2)14-7-5-4-6-8-14/h9-10,12-14,16H,4-8H2,1-3H3/t12-,13?/m1/s1
InChIKeyHJLLJHDLNJCFTL-PZORYLMUSA-N
XLogP4.68
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.44
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-N-[1-(5-bromothiophen-2-yl)ethyl]-1-cyclohexylethanamine
CID 81386958
1-cyclohexyl-N-[1-(5-methylthiophen-2-yl)ethyl]propan-1-amine
CID 63477674
1-(1-ethylpiperidin-4-yl)-N-[1-(5-methylthiophen-2-yl)ethyl]ethanamine
CID 61473504
N-cycloheptyl-2-[1-(5-methylthiophen-2-yl)ethylamino]acetamide
CID 62574010
(1S)-1-cycloheptyl-N-[1-(4-methylphenyl)ethyl]ethanamine
CID 81389876
2-[bromo(cyclopentyl)methyl]-5-methylthiophene
CID 63435697
(1S)-1-cycloheptyl-N-[1-(2-methylphenyl)ethyl]ethanamine
CID 81390722
1-cyclopentyl-N-[1-(4-methylphenyl)ethyl]ethanamine
CID 55097109
(1S)-1-cycloheptyl-N-[1-(5-methylfuran-2-yl)ethyl]ethanamine
CID 81389168
2-(1-bromo-2-cycloheptylethyl)-5-methylthiophene
CID 114458690
2-cyclopropyl-N-[1-(5-methylthiophen-2-yl)ethyl]propan-1-amine
CID 115713828
trans-(1S,2S)-2-[1-(5-methylthiophen-2-yl)ethylamino]cyclopentan-1-ol
CID 102733244

Frequently Asked Questions

What is the IUPAC name of (1R)-1-cyclohexyl-N-[1-(5-methylthiophen-2-yl)ethyl]ethanamine?
The IUPAC name of (1R)-1-cyclohexyl-N-[1-(5-methylthiophen-2-yl)ethyl]ethanamine (CID 81384118) is (1R)-1-cyclohexyl-N-[1-(5-methylthiophen-2-yl)ethyl]ethanamine.
What is the SMILES notation for (1R)-1-cyclohexyl-N-[1-(5-methylthiophen-2-yl)ethyl]ethanamine?
The canonical SMILES for (1R)-1-cyclohexyl-N-[1-(5-methylthiophen-2-yl)ethyl]ethanamine is Cc1ccc(C(C)N[C@H](C)C2CCCCC2)s1.
What is the InChIKey of (1R)-1-cyclohexyl-N-[1-(5-methylthiophen-2-yl)ethyl]ethanamine?
The InChIKey is HJLLJHDLNJCFTL-PZORYLMUSA-N. The full InChI is InChI=1S/C15H25NS/c1-11-9-10-15(17-11)13(3)16-12(2)14-7-5-4-6-8-14/h9-10,12-14,16H,4-8H2,1-3H3/t12-,13?/m1/s1.
What are the key properties of (1R)-1-cyclohexyl-N-[1-(5-methylthiophen-2-yl)ethyl]ethanamine?
(1R)-1-cyclohexyl-N-[1-(5-methylthiophen-2-yl)ethyl]ethanamine has a molecular weight of 251.44 g/mol, XLogP of 4.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-cyclohexyl-N-[1-(5-methylthiophen-2-yl)ethyl]ethanamine is sourced from PubChem (CID 81384118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).