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

C18H27NS — CID 63420269

IUPAC1-(1-adamantyl)-N-ethyl-2-thiophen-2-ylethanamine
SMILESCCNC(Cc1cccs1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H27NS/c1-2-19-17(9-16-4-3-5-20-16)18-10-13-6-14(11-18)8-15(7-13)12-18/h3-5,13-15,17,19H,2,6-12H2,1H3
InChIKeyVLVPNOQGDUVXAG-UHFFFAOYSA-N
MW289.49 g/mol
LogP4.49
Rot. Bonds5

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

1-(1-adamantyl)-N-ethyl-2-thiophen-2-ylethanamine (PubChem CID 63420269) has the molecular formula C18H27NS and a molecular weight of 289.49 g/mol. Its IUPAC name is 1-(1-adamantyl)-N-ethyl-2-thiophen-2-ylethanamine.

Molecular Properties

Compound Name1-(1-adamantyl)-N-ethyl-2-thiophen-2-ylethanamine
PubChem CID63420269
Molecular FormulaC18H27NS
Molecular Weight289.49 g/mol
Exact Mass289.19
IUPAC Name1-(1-adamantyl)-N-ethyl-2-thiophen-2-ylethanamine
SMILESCCNC(Cc1cccs1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H27NS/c1-2-19-17(9-16-4-3-5-20-16)18-10-13-6-14(11-18)8-15(7-13)12-18/h3-5,13-15,17,19H,2,6-12H2,1H3
InChIKeyVLVPNOQGDUVXAG-UHFFFAOYSA-N
XLogP4.49
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 ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-adamantyl)-2-(5-chlorothiophen-2-yl)-N-ethylethanamine
CID 63419605
N-ethyl-1,2-dithiophen-2-ylethanamine
CID 43755169
1-(1-adamantyl)-N-methyl-3-thiophen-2-ylpropan-2-amine
CID 79988196
N-ethyl-1-(1-morpholin-4-ylcyclopentyl)-2-thiophen-2-ylethanamine
CID 79060861
1-cyclopentyl-N-ethyl-2-thiophen-2-ylethanamine
CID 61065338
1-(4,4-dimethylcyclohexyl)-N-ethyl-2-thiophen-2-ylethanamine
CID 65389654
1-(1-adamantyl)-N-ethyl-2-(1-methylpyrazol-4-yl)ethanamine
CID 62796574
1-(1-adamantyl)-N-methyl-1-thiophen-2-ylmethanamine
CID 43483460
N-ethyl-3-(thiophen-2-ylmethyl)pentan-2-amine
CID 61000963
1-(1-adamantyl)-N-ethyl-2-methylsulfinylethanamine
CID 64656628
2-(1-adamantyl)-N-(thiophen-2-ylmethyl)propanamide
CID 91580682
N-ethyl-1-(1-methoxy-4-methylcyclohexyl)-3-thiophen-2-ylpropan-1-amine
CID 116766642

Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantyl)-N-ethyl-2-thiophen-2-ylethanamine?
The IUPAC name of 1-(1-adamantyl)-N-ethyl-2-thiophen-2-ylethanamine (CID 63420269) is 1-(1-adamantyl)-N-ethyl-2-thiophen-2-ylethanamine.
What is the SMILES notation for 1-(1-adamantyl)-N-ethyl-2-thiophen-2-ylethanamine?
The canonical SMILES for 1-(1-adamantyl)-N-ethyl-2-thiophen-2-ylethanamine is CCNC(Cc1cccs1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-(1-adamantyl)-N-ethyl-2-thiophen-2-ylethanamine?
The InChIKey is VLVPNOQGDUVXAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NS/c1-2-19-17(9-16-4-3-5-20-16)18-10-13-6-14(11-18)8-15(7-13)12-18/h3-5,13-15,17,19H,2,6-12H2,1H3.
What are the key properties of 1-(1-adamantyl)-N-ethyl-2-thiophen-2-ylethanamine?
1-(1-adamantyl)-N-ethyl-2-thiophen-2-ylethanamine has a molecular weight of 289.49 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-adamantyl)-N-ethyl-2-thiophen-2-ylethanamine is sourced from PubChem (CID 63420269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).