2-(2-bicyclo[2.2.1]heptanyl)-1-(2,5-dimethylthiophen-3-yl)-N-methylethanamine

C16H25NS — CID 43485358

IUPAC2-(2-bicyclo[2.2.1]heptanyl)-1-(2,5-dimethylthiophen-3-yl)-N-methylethanamine
SMILESCNC(CC1CC2CCC1C2)c1cc(C)sc1C
InChIInChI=1S/C16H25NS/c1-10-6-15(11(2)18-10)16(17-3)9-14-8-12-4-5-13(14)7-12/h6,12-14,16-17H,4-5,7-9H2,1-3H3
InChIKeyCFSJOPYZMSLIFL-UHFFFAOYSA-N
MW263.45 g/mol
LogP4.45
Rot. Bonds4

About 2-(2-bicyclo[2.2.1]heptanyl)-1-(2,5-dimethylthiophen-3-yl)-N-methylethanamine

2-(2-bicyclo[2.2.1]heptanyl)-1-(2,5-dimethylthiophen-3-yl)-N-methylethanamine (PubChem CID 43485358) has the molecular formula C16H25NS and a molecular weight of 263.45 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]heptanyl)-1-(2,5-dimethylthiophen-3-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]heptanyl)-1-(2,5-dimethylthiophen-3-yl)-N-methylethanamine
PubChem CID43485358
Molecular FormulaC16H25NS
Molecular Weight263.45 g/mol
Exact Mass263.17
IUPAC Name2-(2-bicyclo[2.2.1]heptanyl)-1-(2,5-dimethylthiophen-3-yl)-N-methylethanamine
SMILESCNC(CC1CC2CCC1C2)c1cc(C)sc1C
InChIInChI=1S/C16H25NS/c1-10-6-15(11(2)18-10)16(17-3)9-14-8-12-4-5-13(14)7-12/h6,12-14,16-17H,4-5,7-9H2,1-3H3
InChIKeyCFSJOPYZMSLIFL-UHFFFAOYSA-N
XLogP4.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.45
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(2-bicyclo[2.2.1]heptanyl)-1-(2,5-dimethylthiophen-3-yl)-N-methylethanamine with MolForge

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Related Compounds

2-(2-bicyclo[2.2.1]heptanyl)-1-(2-bromo-5-methylphenyl)-N-methylethanamine
CID 105012696
2-(2-bicyclo[2.2.1]heptanyl)-1-(2,6-dimethyl-3-pyridinyl)-N-methylethanamine
CID 105167864
2-(2-bicyclo[2.2.1]heptanyl)-1-(2,4-dichlorophenyl)-N-methylethanamine
CID 63502583
2-(2-bicyclo[2.2.1]heptanyl)-1-(2-methoxy-4-methylphenyl)-N-methylethanamine
CID 106792090
2-(2-bicyclo[2.2.1]heptanyl)-1-(3,4-dimethylphenyl)-N-methylethanamine
CID 43480253
1-(2,5-dimethylthiophen-3-yl)-N-methyl-2-(oxolan-2-yl)ethanamine
CID 65156217
1-(1-benzothiophen-3-yl)-2-(2-bicyclo[2.2.1]heptanyl)-N-methylethanamine
CID 43485837
2-(2-bicyclo[2.2.1]heptanyl)-1-(cyclohexen-1-yl)-N-methylethanamine
CID 63504992
2-(2-bicyclo[2.2.1]heptanyl)-1-(4-fluoro-3-methylphenyl)-N-methylethanamine
CID 79559314
2-(2-bicyclo[2.2.1]heptanyl)-1-(5-bromo-4-fluoro-2-methoxyphenyl)-N-methylethanamine
CID 103394668
2-(2-bicyclo[2.2.1]heptanyl)-N-methyl-1-(6-methyl-2-pyridinyl)ethanamine
CID 79562379
2-(2-bicyclo[2.2.1]heptanyl)-N-methyl-1-(2-propoxyphenyl)ethanamine
CID 105035765

Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-1-(2,5-dimethylthiophen-3-yl)-N-methylethanamine?
The IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-1-(2,5-dimethylthiophen-3-yl)-N-methylethanamine (CID 43485358) is 2-(2-bicyclo[2.2.1]heptanyl)-1-(2,5-dimethylthiophen-3-yl)-N-methylethanamine.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]heptanyl)-1-(2,5-dimethylthiophen-3-yl)-N-methylethanamine?
The canonical SMILES for 2-(2-bicyclo[2.2.1]heptanyl)-1-(2,5-dimethylthiophen-3-yl)-N-methylethanamine is CNC(CC1CC2CCC1C2)c1cc(C)sc1C.
What is the InChIKey of 2-(2-bicyclo[2.2.1]heptanyl)-1-(2,5-dimethylthiophen-3-yl)-N-methylethanamine?
The InChIKey is CFSJOPYZMSLIFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NS/c1-10-6-15(11(2)18-10)16(17-3)9-14-8-12-4-5-13(14)7-12/h6,12-14,16-17H,4-5,7-9H2,1-3H3.
What are the key properties of 2-(2-bicyclo[2.2.1]heptanyl)-1-(2,5-dimethylthiophen-3-yl)-N-methylethanamine?
2-(2-bicyclo[2.2.1]heptanyl)-1-(2,5-dimethylthiophen-3-yl)-N-methylethanamine has a molecular weight of 263.45 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bicyclo[2.2.1]heptanyl)-1-(2,5-dimethylthiophen-3-yl)-N-methylethanamine is sourced from PubChem (CID 43485358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).