1-(5-ethyl-1-azabicyclo[2.2.2]octan-2-yl)-N,N-bis(thiophen-2-ylmethyl)methanamine

C20H28N2S2 — CID 74576581

IUPAC1-(5-ethyl-1-azabicyclo[2.2.2]octan-2-yl)-N,N-bis(thiophen-2-ylmethyl)methanamine
SMILESCCC1CN2CCC1CC2CN(Cc1cccs1)Cc1cccs1
InChIInChI=1S/C20H28N2S2/c1-2-16-12-22-8-7-17(16)11-18(22)13-21(14-19-5-3-9-23-19)15-20-6-4-10-24-20/h3-6,9-10,16-18H,2,7-8,11-15H2,1H3
InChIKeyMYOIPDGUFFUSBD-UHFFFAOYSA-N
MW360.59 g/mol
LogP4.93
Rot. Bonds7

About 1-(5-ethyl-1-azabicyclo[2.2.2]octan-2-yl)-N,N-bis(thiophen-2-ylmethyl)methanamine

1-(5-ethyl-1-azabicyclo[2.2.2]octan-2-yl)-N,N-bis(thiophen-2-ylmethyl)methanamine (PubChem CID 74576581) has the molecular formula C20H28N2S2 and a molecular weight of 360.59 g/mol. Its IUPAC name is 1-(5-ethyl-1-azabicyclo[2.2.2]octan-2-yl)-N,N-bis(thiophen-2-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(5-ethyl-1-azabicyclo[2.2.2]octan-2-yl)-N,N-bis(thiophen-2-ylmethyl)methanamine
PubChem CID74576581
Molecular FormulaC20H28N2S2
Molecular Weight360.59 g/mol
Exact Mass360.17
IUPAC Name1-(5-ethyl-1-azabicyclo[2.2.2]octan-2-yl)-N,N-bis(thiophen-2-ylmethyl)methanamine
SMILESCCC1CN2CCC1CC2CN(Cc1cccs1)Cc1cccs1
InChIInChI=1S/C20H28N2S2/c1-2-16-12-22-8-7-17(16)11-18(22)13-21(14-19-5-3-9-23-19)15-20-6-4-10-24-20/h3-6,9-10,16-18H,2,7-8,11-15H2,1H3
InChIKeyMYOIPDGUFFUSBD-UHFFFAOYSA-N
XLogP4.93
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.59
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2R,4S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-N,N-bis(thiophen-2-ylmethyl)methanamine
CID 28959326
4-ethyl-2-[[ethyl(thiophen-2-ylmethyl)amino]methyl]cyclohexan-1-one
CID 62612562
4-[[[(2R,4S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]methylamino]methyl]-N,N-dimethylaniline
CID 44716351
3-ethyl-1-(2-thiophen-2-ylethyl)piperidin-4-amine
CID 81459742
N-[[(2R,4S,5S)-5-[[2-(dimethylamino)ethyl-methylamino]methyl]-1-azabicyclo[2.2.2]octan-2-yl]methyl]thiophene-2-sulfonamide
CID 44716371
5-[[[(2R)-1-ethylpyrrolidin-2-yl]methyl-(thiophen-2-ylmethyl)amino]methyl]-1,3-dimethylbenzimidazol-2-one
CID 51595226
(2S)-2-amino-N-cyclopropyl-N-(thiophen-2-ylmethyl)pentanamide
CID 93369625
N-[[(2R,4S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]methyl]-2-(methylamino)benzamide
CID 11808799
2-[[ethyl(thiophen-2-ylmethyl)amino]methyl]-3,5-dimethylcyclohexan-1-amine
CID 64737229
N,N-bis[(3,4-difluorophenyl)methyl]-1-(5-ethynyl-1-azabicyclo[2.2.2]octan-2-yl)methanamine
CID 163165740
4-ethyl-2-[[methyl(thiophen-2-ylmethyl)amino]methyl]cyclohexan-1-one
CID 62612203
[(2R,4S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]methyl N-(4-phenoxyphenyl)carbamate
CID 11943124

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethyl-1-azabicyclo[2.2.2]octan-2-yl)-N,N-bis(thiophen-2-ylmethyl)methanamine?
The IUPAC name of 1-(5-ethyl-1-azabicyclo[2.2.2]octan-2-yl)-N,N-bis(thiophen-2-ylmethyl)methanamine (CID 74576581) is 1-(5-ethyl-1-azabicyclo[2.2.2]octan-2-yl)-N,N-bis(thiophen-2-ylmethyl)methanamine.
What is the SMILES notation for 1-(5-ethyl-1-azabicyclo[2.2.2]octan-2-yl)-N,N-bis(thiophen-2-ylmethyl)methanamine?
The canonical SMILES for 1-(5-ethyl-1-azabicyclo[2.2.2]octan-2-yl)-N,N-bis(thiophen-2-ylmethyl)methanamine is CCC1CN2CCC1CC2CN(Cc1cccs1)Cc1cccs1.
What is the InChIKey of 1-(5-ethyl-1-azabicyclo[2.2.2]octan-2-yl)-N,N-bis(thiophen-2-ylmethyl)methanamine?
The InChIKey is MYOIPDGUFFUSBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2S2/c1-2-16-12-22-8-7-17(16)11-18(22)13-21(14-19-5-3-9-23-19)15-20-6-4-10-24-20/h3-6,9-10,16-18H,2,7-8,11-15H2,1H3.
What are the key properties of 1-(5-ethyl-1-azabicyclo[2.2.2]octan-2-yl)-N,N-bis(thiophen-2-ylmethyl)methanamine?
1-(5-ethyl-1-azabicyclo[2.2.2]octan-2-yl)-N,N-bis(thiophen-2-ylmethyl)methanamine has a molecular weight of 360.59 g/mol, XLogP of 4.93, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethyl-1-azabicyclo[2.2.2]octan-2-yl)-N,N-bis(thiophen-2-ylmethyl)methanamine is sourced from PubChem (CID 74576581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).