1-[1-(1-benzothiophen-3-ylmethyl)-3-methylpyrrolidin-3-yl]-N-methylmethanamine

C16H22N2S — CID 106318658

IUPAC1-[1-(1-benzothiophen-3-ylmethyl)-3-methylpyrrolidin-3-yl]-N-methylmethanamine
SMILESCNCC1(C)CCN(Cc2csc3ccccc23)C1
InChIInChI=1S/C16H22N2S/c1-16(11-17-2)7-8-18(12-16)9-13-10-19-15-6-4-3-5-14(13)15/h3-6,10,17H,7-9,11-12H2,1-2H3
InChIKeyVIXXVGDETIPXIA-UHFFFAOYSA-N
MW274.43 g/mol
LogP3.33
Rot. Bonds4

About 1-[1-(1-benzothiophen-3-ylmethyl)-3-methylpyrrolidin-3-yl]-N-methylmethanamine

1-[1-(1-benzothiophen-3-ylmethyl)-3-methylpyrrolidin-3-yl]-N-methylmethanamine (PubChem CID 106318658) has the molecular formula C16H22N2S and a molecular weight of 274.43 g/mol. Its IUPAC name is 1-[1-(1-benzothiophen-3-ylmethyl)-3-methylpyrrolidin-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-(1-benzothiophen-3-ylmethyl)-3-methylpyrrolidin-3-yl]-N-methylmethanamine
PubChem CID106318658
Molecular FormulaC16H22N2S
Molecular Weight274.43 g/mol
Exact Mass274.15
IUPAC Name1-[1-(1-benzothiophen-3-ylmethyl)-3-methylpyrrolidin-3-yl]-N-methylmethanamine
SMILESCNCC1(C)CCN(Cc2csc3ccccc23)C1
InChIInChI=1S/C16H22N2S/c1-16(11-17-2)7-8-18(12-16)9-13-10-19-15-6-4-3-5-14(13)15/h3-6,10,17H,7-9,11-12H2,1-2H3
InChIKeyVIXXVGDETIPXIA-UHFFFAOYSA-N
XLogP3.33
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-[3-methyl-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]methanamine
CID 106318625
1-(1-benzothiophen-3-ylmethyl)-4-bromo-3,3-dimethylpiperidine
CID 112747313
1-[1-[(3-bromothiophen-2-yl)methyl]-3-methylpyrrolidin-3-yl]-N-methylmethanamine
CID 106318690
1-(1-benzothiophen-3-ylmethyl)-3-ethyl-3-methyl-1,4-diazepane
CID 64869945
1-[1-[(2,6-dichlorophenyl)methyl]-3-methylpyrrolidin-3-yl]-N-methylmethanamine
CID 106318678
1-(1-benzothiophen-3-ylmethyl)piperidine chloride
CID 53347465
10-(1-benzothiophen-3-ylmethyl)-6,10-diazaspiro[4.6]undecane
CID 64869502
2-[4-(1-benzothiophen-3-ylmethyl)piperazin-1-yl]-N-methylacetamide
CID 17434577
N-methyl-1-[3-methyl-1-(2-phenylethyl)pyrrolidin-3-yl]methanamine
CID 106318668
1-[1-[(3-chlorophenyl)methyl]-3-methylpyrrolidin-3-yl]-N-methylmethanamine
CID 114172884
1-[4-(1-benzothiophen-3-ylmethyl)oxan-4-yl]-N-methylmethanamine
CID 63736929
2-[4-(1-benzothiophen-3-ylmethyl)piperazin-1-yl]ethanol
CID 60705027

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1-benzothiophen-3-ylmethyl)-3-methylpyrrolidin-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-(1-benzothiophen-3-ylmethyl)-3-methylpyrrolidin-3-yl]-N-methylmethanamine (CID 106318658) is 1-[1-(1-benzothiophen-3-ylmethyl)-3-methylpyrrolidin-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-(1-benzothiophen-3-ylmethyl)-3-methylpyrrolidin-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-(1-benzothiophen-3-ylmethyl)-3-methylpyrrolidin-3-yl]-N-methylmethanamine is CNCC1(C)CCN(Cc2csc3ccccc23)C1.
What is the InChIKey of 1-[1-(1-benzothiophen-3-ylmethyl)-3-methylpyrrolidin-3-yl]-N-methylmethanamine?
The InChIKey is VIXXVGDETIPXIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2S/c1-16(11-17-2)7-8-18(12-16)9-13-10-19-15-6-4-3-5-14(13)15/h3-6,10,17H,7-9,11-12H2,1-2H3.
What are the key properties of 1-[1-(1-benzothiophen-3-ylmethyl)-3-methylpyrrolidin-3-yl]-N-methylmethanamine?
1-[1-(1-benzothiophen-3-ylmethyl)-3-methylpyrrolidin-3-yl]-N-methylmethanamine has a molecular weight of 274.43 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1-benzothiophen-3-ylmethyl)-3-methylpyrrolidin-3-yl]-N-methylmethanamine is sourced from PubChem (CID 106318658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).