N-[(1-ethylpyrrolidin-3-yl)methyl]-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanamine

C17H28N2S — CID 81298495

IUPACN-[(1-ethylpyrrolidin-3-yl)methyl]-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanamine
SMILESCCN1CCC(CNC(C)c2cc3c(s2)CCCC3)C1
InChIInChI=1S/C17H28N2S/c1-3-19-9-8-14(12-19)11-18-13(2)17-10-15-6-4-5-7-16(15)20-17/h10,13-14,18H,3-9,11-12H2,1-2H3
InChIKeyFRSUAOLFQDGFSB-UHFFFAOYSA-N
MW292.49 g/mol
LogP3.62
Rot. Bonds5

About N-[(1-ethylpyrrolidin-3-yl)methyl]-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanamine

N-[(1-ethylpyrrolidin-3-yl)methyl]-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanamine (PubChem CID 81298495) has the molecular formula C17H28N2S and a molecular weight of 292.49 g/mol. Its IUPAC name is N-[(1-ethylpyrrolidin-3-yl)methyl]-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanamine.

Molecular Properties

Compound NameN-[(1-ethylpyrrolidin-3-yl)methyl]-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanamine
PubChem CID81298495
Molecular FormulaC17H28N2S
Molecular Weight292.49 g/mol
Exact Mass292.20
IUPAC NameN-[(1-ethylpyrrolidin-3-yl)methyl]-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanamine
SMILESCCN1CCC(CNC(C)c2cc3c(s2)CCCC3)C1
InChIInChI=1S/C17H28N2S/c1-3-19-9-8-14(12-19)11-18-13(2)17-10-15-6-4-5-7-16(15)20-17/h10,13-14,18H,3-9,11-12H2,1-2H3
InChIKeyFRSUAOLFQDGFSB-UHFFFAOYSA-N
XLogP3.62
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 ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(1-ethylpyrrolidin-3-yl)methyl]-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanamine with MolForge

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Related Compounds

N-[1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)ethyl]propan-1-amine
CID 115780103
1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-[(2-methylcyclopropyl)methyl]ethanamine
CID 115712995
N-(1,4-dioxan-2-ylmethyl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanamine
CID 81323082
N-[(1-ethylpyrrolidin-3-yl)methyl]pentan-2-amine
CID 60857491
3,3,3-trifluoro-N-[1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethyl]propan-1-amine
CID 81344023
1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(1-ethylpyrrolidin-3-yl)methyl]ethanamine
CID 60856853
1-(4-bromo-2-fluorophenyl)-N-[(1-ethylpyrrolidin-3-yl)methyl]ethanamine
CID 82964845
N-ethyl-3-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)hexan-1-amine
CID 115845515
2,2-difluoro-3-[1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethylamino]propan-1-ol
CID 104860583
2-cyclopentyl-N-ethyl-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)ethanamine
CID 115847120
1,1,1-trifluoro-3-[1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethylamino]propan-2-ol
CID 103778647
1-(3-bromo-4-methoxyphenyl)-N-[(1-ethylpyrrolidin-3-yl)methyl]ethanamine
CID 60857351

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrolidin-3-yl)methyl]-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanamine?
The IUPAC name of N-[(1-ethylpyrrolidin-3-yl)methyl]-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanamine (CID 81298495) is N-[(1-ethylpyrrolidin-3-yl)methyl]-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanamine.
What is the SMILES notation for N-[(1-ethylpyrrolidin-3-yl)methyl]-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanamine?
The canonical SMILES for N-[(1-ethylpyrrolidin-3-yl)methyl]-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanamine is CCN1CCC(CNC(C)c2cc3c(s2)CCCC3)C1.
What is the InChIKey of N-[(1-ethylpyrrolidin-3-yl)methyl]-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanamine?
The InChIKey is FRSUAOLFQDGFSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2S/c1-3-19-9-8-14(12-19)11-18-13(2)17-10-15-6-4-5-7-16(15)20-17/h10,13-14,18H,3-9,11-12H2,1-2H3.
What are the key properties of N-[(1-ethylpyrrolidin-3-yl)methyl]-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanamine?
N-[(1-ethylpyrrolidin-3-yl)methyl]-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanamine has a molecular weight of 292.49 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrolidin-3-yl)methyl]-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanamine is sourced from PubChem (CID 81298495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).