3-(1-benzothiophen-3-ylmethyl)-2-methyl-N-propylcyclopentan-1-amine

C18H25NS — CID 64907706

IUPAC3-(1-benzothiophen-3-ylmethyl)-2-methyl-N-propylcyclopentan-1-amine
SMILESCCCNC1CCC(Cc2csc3ccccc23)C1C
InChIInChI=1S/C18H25NS/c1-3-10-19-17-9-8-14(13(17)2)11-15-12-20-18-7-5-4-6-16(15)18/h4-7,12-14,17,19H,3,8-11H2,1-2H3
InChIKeyLSPUZIIPEDYPQW-UHFFFAOYSA-N
MW287.47 g/mol
LogP4.86
Rot. Bonds5

About 3-(1-benzothiophen-3-ylmethyl)-2-methyl-N-propylcyclopentan-1-amine

3-(1-benzothiophen-3-ylmethyl)-2-methyl-N-propylcyclopentan-1-amine (PubChem CID 64907706) has the molecular formula C18H25NS and a molecular weight of 287.47 g/mol. Its IUPAC name is 3-(1-benzothiophen-3-ylmethyl)-2-methyl-N-propylcyclopentan-1-amine.

Molecular Properties

Compound Name3-(1-benzothiophen-3-ylmethyl)-2-methyl-N-propylcyclopentan-1-amine
PubChem CID64907706
Molecular FormulaC18H25NS
Molecular Weight287.47 g/mol
Exact Mass287.17
IUPAC Name3-(1-benzothiophen-3-ylmethyl)-2-methyl-N-propylcyclopentan-1-amine
SMILESCCCNC1CCC(Cc2csc3ccccc23)C1C
InChIInChI=1S/C18H25NS/c1-3-10-19-17-9-8-14(13(17)2)11-15-12-20-18-7-5-4-6-16(15)18/h4-7,12-14,17,19H,3,8-11H2,1-2H3
InChIKeyLSPUZIIPEDYPQW-UHFFFAOYSA-N
XLogP4.86
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.47
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(1-benzothiophen-3-ylmethyl)-2-methyl-N-propylcyclopentan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1-benzothiophen-3-ylmethyl)-N-ethyl-4-methylcyclohexan-1-amine
CID 63737228
2-methyl-N-propyl-3-(thiophen-2-ylmethyl)cyclopentan-1-amine
CID 64907493
3-[(5-ethylthiophen-2-yl)methyl]-2-methyl-N-propylcyclopentan-1-amine
CID 64908131
3-[(2-fluoro-3-methoxyphenyl)methyl]-2-methyl-N-propylcyclopentan-1-amine
CID 104795136
N-(1-benzothiophen-3-ylmethyl)propan-1-amine
CID 46785290
3-[(2-chloro-4-fluorophenyl)methyl]-2-methyl-N-propylcyclopentan-1-amine
CID 64910087
2-(1-benzothiophen-3-ylmethyl)-N-methyl-4-propan-2-ylcyclohexan-1-amine
CID 63737915
3-[(3-bromophenyl)methyl]-2-methyl-N-propylcyclopentan-1-amine
CID 64907274
N-[[2-(1-benzothiophen-3-ylmethyl)cyclopentyl]methyl]propan-2-amine
CID 81033729
N-[5-(1-benzothiophen-3-yl)pentyl]cyclopropanamine
CID 65300642
N-[6-(1-benzothiophen-3-yl)hexyl]cyclopropanamine
CID 65308766
N-[2-(1-benzothiophen-3-yl)-1-(oxolan-2-yl)ethyl]propan-1-amine
CID 65328369

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzothiophen-3-ylmethyl)-2-methyl-N-propylcyclopentan-1-amine?
The IUPAC name of 3-(1-benzothiophen-3-ylmethyl)-2-methyl-N-propylcyclopentan-1-amine (CID 64907706) is 3-(1-benzothiophen-3-ylmethyl)-2-methyl-N-propylcyclopentan-1-amine.
What is the SMILES notation for 3-(1-benzothiophen-3-ylmethyl)-2-methyl-N-propylcyclopentan-1-amine?
The canonical SMILES for 3-(1-benzothiophen-3-ylmethyl)-2-methyl-N-propylcyclopentan-1-amine is CCCNC1CCC(Cc2csc3ccccc23)C1C.
What is the InChIKey of 3-(1-benzothiophen-3-ylmethyl)-2-methyl-N-propylcyclopentan-1-amine?
The InChIKey is LSPUZIIPEDYPQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NS/c1-3-10-19-17-9-8-14(13(17)2)11-15-12-20-18-7-5-4-6-16(15)18/h4-7,12-14,17,19H,3,8-11H2,1-2H3.
What are the key properties of 3-(1-benzothiophen-3-ylmethyl)-2-methyl-N-propylcyclopentan-1-amine?
3-(1-benzothiophen-3-ylmethyl)-2-methyl-N-propylcyclopentan-1-amine has a molecular weight of 287.47 g/mol, XLogP of 4.86, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzothiophen-3-ylmethyl)-2-methyl-N-propylcyclopentan-1-amine is sourced from PubChem (CID 64907706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).