1-(1-benzothiophen-3-yl)-N-methyl-1-(2-methylcyclopentyl)methanamine

C16H21NS — CID 107177277

IUPAC1-(1-benzothiophen-3-yl)-N-methyl-1-(2-methylcyclopentyl)methanamine
SMILESCNC(c1csc2ccccc12)C1CCCC1C
InChIInChI=1S/C16H21NS/c1-11-6-5-8-12(11)16(17-2)14-10-18-15-9-4-3-7-13(14)15/h3-4,7,9-12,16-17H,5-6,8H2,1-2H3
InChIKeyGQECJBWTLWRKNZ-UHFFFAOYSA-N
MW259.42 g/mol
LogP4.60
Rot. Bonds3

About 1-(1-benzothiophen-3-yl)-N-methyl-1-(2-methylcyclopentyl)methanamine

1-(1-benzothiophen-3-yl)-N-methyl-1-(2-methylcyclopentyl)methanamine (PubChem CID 107177277) has the molecular formula C16H21NS and a molecular weight of 259.42 g/mol. Its IUPAC name is 1-(1-benzothiophen-3-yl)-N-methyl-1-(2-methylcyclopentyl)methanamine.

Molecular Properties

Compound Name1-(1-benzothiophen-3-yl)-N-methyl-1-(2-methylcyclopentyl)methanamine
PubChem CID107177277
Molecular FormulaC16H21NS
Molecular Weight259.42 g/mol
Exact Mass259.14
IUPAC Name1-(1-benzothiophen-3-yl)-N-methyl-1-(2-methylcyclopentyl)methanamine
SMILESCNC(c1csc2ccccc12)C1CCCC1C
InChIInChI=1S/C16H21NS/c1-11-6-5-8-12(11)16(17-2)14-10-18-15-9-4-3-7-13(14)15/h3-4,7,9-12,16-17H,5-6,8H2,1-2H3
InChIKeyGQECJBWTLWRKNZ-UHFFFAOYSA-N
XLogP4.60
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.42
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-(1-benzothiophen-3-yl)-N-methyl-1-[(1S,2S)-2-methylcyclopropyl]methanamine
CID 98219426
1-(1-benzothiophen-3-yl)-1-cyclohexyl-N-methylmethanamine
CID 43485797
1-(1-benzothiophen-3-yl)-N-methyl-1-pyrrolidin-2-ylmethanamine
CID 116950981
1-(1-benzothiophen-3-yl)-N-methyl-1-(oxan-4-yl)methanamine
CID 55131784
1-(1-benzothiophen-3-yl)-2-cyclobutyl-N-methylethanamine
CID 115863679
N-methyl-1-(2-methylcyclopentyl)-1-(2-methylthiophen-3-yl)methanamine
CID 107191644
1-benzothiophen-3-yl-(2-methylcyclopropyl)methanamine
CID 43166668
[1-benzothiophen-3-yl(cyclohexyl)methyl]hydrazine
CID 105282068
1-(1-benzothiophen-3-yl)-2-cyclohexyl-N-methylethanamine
CID 43485761
N-methyl-1-(2-methylcyclopentyl)-1-(5-methylthiophen-3-yl)methanamine
CID 107189272
1-benzothiophen-3-yl-(3,4-dimethylcyclohexyl)methanamine
CID 104989207
1-(1-benzothiophen-3-yl)-2-(2-bicyclo[2.2.1]heptanyl)-N-methylethanamine
CID 43485837

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-3-yl)-N-methyl-1-(2-methylcyclopentyl)methanamine?
The IUPAC name of 1-(1-benzothiophen-3-yl)-N-methyl-1-(2-methylcyclopentyl)methanamine (CID 107177277) is 1-(1-benzothiophen-3-yl)-N-methyl-1-(2-methylcyclopentyl)methanamine.
What is the SMILES notation for 1-(1-benzothiophen-3-yl)-N-methyl-1-(2-methylcyclopentyl)methanamine?
The canonical SMILES for 1-(1-benzothiophen-3-yl)-N-methyl-1-(2-methylcyclopentyl)methanamine is CNC(c1csc2ccccc12)C1CCCC1C.
What is the InChIKey of 1-(1-benzothiophen-3-yl)-N-methyl-1-(2-methylcyclopentyl)methanamine?
The InChIKey is GQECJBWTLWRKNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NS/c1-11-6-5-8-12(11)16(17-2)14-10-18-15-9-4-3-7-13(14)15/h3-4,7,9-12,16-17H,5-6,8H2,1-2H3.
What are the key properties of 1-(1-benzothiophen-3-yl)-N-methyl-1-(2-methylcyclopentyl)methanamine?
1-(1-benzothiophen-3-yl)-N-methyl-1-(2-methylcyclopentyl)methanamine has a molecular weight of 259.42 g/mol, XLogP of 4.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-3-yl)-N-methyl-1-(2-methylcyclopentyl)methanamine is sourced from PubChem (CID 107177277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).