2-[1-[2-(2,5-dimethylthiophen-3-yl)ethyl]cyclohexyl]-N-methylethanamine

C17H29NS — CID 65303461

IUPAC2-[1-[2-(2,5-dimethylthiophen-3-yl)ethyl]cyclohexyl]-N-methylethanamine
SMILESCNCCC1(CCc2cc(C)sc2C)CCCCC1
InChIInChI=1S/C17H29NS/c1-14-13-16(15(2)19-14)7-10-17(11-12-18-3)8-5-4-6-9-17/h13,18H,4-12H2,1-3H3
InChIKeyHKOXSLSCTXYLGK-UHFFFAOYSA-N
MW279.49 g/mol
LogP4.86
Rot. Bonds6

About 2-[1-[2-(2,5-dimethylthiophen-3-yl)ethyl]cyclohexyl]-N-methylethanamine

2-[1-[2-(2,5-dimethylthiophen-3-yl)ethyl]cyclohexyl]-N-methylethanamine (PubChem CID 65303461) has the molecular formula C17H29NS and a molecular weight of 279.49 g/mol. Its IUPAC name is 2-[1-[2-(2,5-dimethylthiophen-3-yl)ethyl]cyclohexyl]-N-methylethanamine.

Molecular Properties

Compound Name2-[1-[2-(2,5-dimethylthiophen-3-yl)ethyl]cyclohexyl]-N-methylethanamine
PubChem CID65303461
Molecular FormulaC17H29NS
Molecular Weight279.49 g/mol
Exact Mass279.20
IUPAC Name2-[1-[2-(2,5-dimethylthiophen-3-yl)ethyl]cyclohexyl]-N-methylethanamine
SMILESCNCCC1(CCc2cc(C)sc2C)CCCCC1
InChIInChI=1S/C17H29NS/c1-14-13-16(15(2)19-14)7-10-17(11-12-18-3)8-5-4-6-9-17/h13,18H,4-12H2,1-3H3
InChIKeyHKOXSLSCTXYLGK-UHFFFAOYSA-N
XLogP4.86
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.49
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(2,5-dimethylthiophen-3-yl)ethyl]cyclohexyl]-N-methylethanamine?
The IUPAC name of 2-[1-[2-(2,5-dimethylthiophen-3-yl)ethyl]cyclohexyl]-N-methylethanamine (CID 65303461) is 2-[1-[2-(2,5-dimethylthiophen-3-yl)ethyl]cyclohexyl]-N-methylethanamine.
What is the SMILES notation for 2-[1-[2-(2,5-dimethylthiophen-3-yl)ethyl]cyclohexyl]-N-methylethanamine?
The canonical SMILES for 2-[1-[2-(2,5-dimethylthiophen-3-yl)ethyl]cyclohexyl]-N-methylethanamine is CNCCC1(CCc2cc(C)sc2C)CCCCC1.
What is the InChIKey of 2-[1-[2-(2,5-dimethylthiophen-3-yl)ethyl]cyclohexyl]-N-methylethanamine?
The InChIKey is HKOXSLSCTXYLGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NS/c1-14-13-16(15(2)19-14)7-10-17(11-12-18-3)8-5-4-6-9-17/h13,18H,4-12H2,1-3H3.
What are the key properties of 2-[1-[2-(2,5-dimethylthiophen-3-yl)ethyl]cyclohexyl]-N-methylethanamine?
2-[1-[2-(2,5-dimethylthiophen-3-yl)ethyl]cyclohexyl]-N-methylethanamine has a molecular weight of 279.49 g/mol, XLogP of 4.86, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(2,5-dimethylthiophen-3-yl)ethyl]cyclohexyl]-N-methylethanamine is sourced from PubChem (CID 65303461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).