1-(2-adamantyl)-N-ethyl-2-thiophen-3-ylethanamine

C18H27NS — CID 81098396

IUPAC1-(2-adamantyl)-N-ethyl-2-thiophen-3-ylethanamine
SMILESCCNC(Cc1ccsc1)C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C18H27NS/c1-2-19-17(10-12-3-4-20-11-12)18-15-6-13-5-14(8-15)9-16(18)7-13/h3-4,11,13-19H,2,5-10H2,1H3
InChIKeyFLDOLCITDWVYMX-UHFFFAOYSA-N
MW289.49 g/mol
LogP4.34
Rot. Bonds5

About 1-(2-adamantyl)-N-ethyl-2-thiophen-3-ylethanamine

1-(2-adamantyl)-N-ethyl-2-thiophen-3-ylethanamine (PubChem CID 81098396) has the molecular formula C18H27NS and a molecular weight of 289.49 g/mol. Its IUPAC name is 1-(2-adamantyl)-N-ethyl-2-thiophen-3-ylethanamine.

Molecular Properties

Compound Name1-(2-adamantyl)-N-ethyl-2-thiophen-3-ylethanamine
PubChem CID81098396
Molecular FormulaC18H27NS
Molecular Weight289.49 g/mol
Exact Mass289.19
IUPAC Name1-(2-adamantyl)-N-ethyl-2-thiophen-3-ylethanamine
SMILESCCNC(Cc1ccsc1)C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C18H27NS/c1-2-19-17(10-12-3-4-20-11-12)18-15-6-13-5-14(8-15)9-16(18)7-13/h3-4,11,13-19H,2,5-10H2,1H3
InChIKeyFLDOLCITDWVYMX-UHFFFAOYSA-N
XLogP4.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.49
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-1-(2-ethylcyclohexyl)-2-thiophen-3-ylethanamine
CID 105151151
1-(2-adamantyl)-N-ethyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 104997094
N-ethyl-1-(3-ethyl-1,4-dithian-2-yl)-2-thiophen-3-ylethanamine
CID 113299739
1-(2-adamantyl)-N-ethyl-2-(furan-2-yl)ethanamine
CID 105029389
1-(2,3-dihydro-1-benzothiophen-3-yl)-N-ethyl-2-thiophen-3-ylethanamine
CID 105137509
1-(2-adamantyl)-N-ethyl-2-(1-methylpyrazol-3-yl)ethanamine
CID 105025491
1-(2-adamantyl)-N-ethyl-3-methylbutan-1-amine
CID 115782496
N-ethyl-1-(4-propylmorpholin-2-yl)-2-thiophen-3-ylethanamine
CID 79657173
N-ethyl-1-(6-oxaspiro[4.5]decan-9-yl)-2-thiophen-3-ylethanamine
CID 105170153
N-[1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-thiophen-3-ylethyl]propan-1-amine
CID 115998337
N-ethyl-1-methoxy-3-thiophen-3-ylpropan-2-amine
CID 62604477
N-[1-(oxan-4-yl)-2-thiophen-3-ylethyl]propan-1-amine
CID 62907430

Frequently Asked Questions

What is the IUPAC name of 1-(2-adamantyl)-N-ethyl-2-thiophen-3-ylethanamine?
The IUPAC name of 1-(2-adamantyl)-N-ethyl-2-thiophen-3-ylethanamine (CID 81098396) is 1-(2-adamantyl)-N-ethyl-2-thiophen-3-ylethanamine.
What is the SMILES notation for 1-(2-adamantyl)-N-ethyl-2-thiophen-3-ylethanamine?
The canonical SMILES for 1-(2-adamantyl)-N-ethyl-2-thiophen-3-ylethanamine is CCNC(Cc1ccsc1)C1C2CC3CC(C2)CC1C3.
What is the InChIKey of 1-(2-adamantyl)-N-ethyl-2-thiophen-3-ylethanamine?
The InChIKey is FLDOLCITDWVYMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NS/c1-2-19-17(10-12-3-4-20-11-12)18-15-6-13-5-14(8-15)9-16(18)7-13/h3-4,11,13-19H,2,5-10H2,1H3.
What are the key properties of 1-(2-adamantyl)-N-ethyl-2-thiophen-3-ylethanamine?
1-(2-adamantyl)-N-ethyl-2-thiophen-3-ylethanamine has a molecular weight of 289.49 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-adamantyl)-N-ethyl-2-thiophen-3-ylethanamine is sourced from PubChem (CID 81098396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).