1-(5-ethylthiophen-2-yl)-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]ethanamine

C17H28N2S — CID 61335739

IUPAC1-(5-ethylthiophen-2-yl)-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]ethanamine
SMILESCCc1ccc(C(C)NCC2CC3CCC(C2)N3C)s1
InChIInChI=1S/C17H28N2S/c1-4-16-7-8-17(20-16)12(2)18-11-13-9-14-5-6-15(10-13)19(14)3/h7-8,12-15,18H,4-6,9-11H2,1-3H3
InChIKeyWMVYQNVSKOUQHS-UHFFFAOYSA-N
MW292.49 g/mol
LogP3.83
Rot. Bonds5

About 1-(5-ethylthiophen-2-yl)-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]ethanamine

1-(5-ethylthiophen-2-yl)-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]ethanamine (PubChem CID 61335739) has the molecular formula C17H28N2S and a molecular weight of 292.49 g/mol. Its IUPAC name is 1-(5-ethylthiophen-2-yl)-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-(5-ethylthiophen-2-yl)-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]ethanamine
PubChem CID61335739
Molecular FormulaC17H28N2S
Molecular Weight292.49 g/mol
Exact Mass292.20
IUPAC Name1-(5-ethylthiophen-2-yl)-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]ethanamine
SMILESCCc1ccc(C(C)NCC2CC3CCC(C2)N3C)s1
InChIInChI=1S/C17H28N2S/c1-4-16-7-8-17(20-16)12(2)18-11-13-9-14-5-6-15(10-13)19(14)3/h7-8,12-15,18H,4-6,9-11H2,1-3H3
InChIKeyWMVYQNVSKOUQHS-UHFFFAOYSA-N
XLogP3.83
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.49
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(5-ethylthiophen-2-yl)-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]ethanamine with MolForge

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Related Compounds

N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-1-(5-methylthiophen-2-yl)ethanamine
CID 54898751
1-(5-ethylthiophen-2-yl)-N-[(3-methylcyclopentyl)methyl]ethanamine
CID 107412059
N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-1-(5-methylfuran-2-yl)ethanamine
CID 54898654
1-(5-ethylthiophen-2-yl)-N-[(2-methylcyclopropyl)methyl]ethanamine
CID 115713093
1-(4-fluorophenyl)-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]ethanamine
CID 61013394
(1R)-1-(5-ethylthiophen-2-yl)-N-methylethanamine
CID 55277214
N-cyclopropyl-2-[1-(5-ethylthiophen-2-yl)ethylamino]acetamide
CID 61333566
N-[(5-ethylthiophen-2-yl)methyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 107093556
1-(3,4-difluorophenyl)-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]ethanamine
CID 61013117
1-(5-ethylthiophen-2-yl)-N-[(1-methylcyclopropyl)methyl]ethanamine
CID 103902899
1-(2-bicyclo[2.2.1]heptanyl)-N-[1-(5-ethylthiophen-2-yl)ethyl]ethanamine
CID 63422667
N-[1-(5-ethylthiophen-2-yl)ethyl]prop-2-en-1-amine
CID 61334719

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethylthiophen-2-yl)-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]ethanamine?
The IUPAC name of 1-(5-ethylthiophen-2-yl)-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]ethanamine (CID 61335739) is 1-(5-ethylthiophen-2-yl)-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]ethanamine.
What is the SMILES notation for 1-(5-ethylthiophen-2-yl)-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]ethanamine?
The canonical SMILES for 1-(5-ethylthiophen-2-yl)-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]ethanamine is CCc1ccc(C(C)NCC2CC3CCC(C2)N3C)s1.
What is the InChIKey of 1-(5-ethylthiophen-2-yl)-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]ethanamine?
The InChIKey is WMVYQNVSKOUQHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2S/c1-4-16-7-8-17(20-16)12(2)18-11-13-9-14-5-6-15(10-13)19(14)3/h7-8,12-15,18H,4-6,9-11H2,1-3H3.
What are the key properties of 1-(5-ethylthiophen-2-yl)-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]ethanamine?
1-(5-ethylthiophen-2-yl)-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]ethanamine has a molecular weight of 292.49 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethylthiophen-2-yl)-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]ethanamine is sourced from PubChem (CID 61335739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).