[1-(1-benzothiophen-3-ylmethyl)-3-methylcyclopentyl]methanamine

C16H21NS — CID 65401475

IUPAC[1-(1-benzothiophen-3-ylmethyl)-3-methylcyclopentyl]methanamine
SMILESCC1CCC(CN)(Cc2csc3ccccc23)C1
InChIInChI=1S/C16H21NS/c1-12-6-7-16(8-12,11-17)9-13-10-18-15-5-3-2-4-14(13)15/h2-5,10,12H,6-9,11,17H2,1H3
InChIKeyGKFDLOHIHFLMJF-UHFFFAOYSA-N
MW259.42 g/mol
LogP4.21
Rot. Bonds3

About [1-(1-benzothiophen-3-ylmethyl)-3-methylcyclopentyl]methanamine

[1-(1-benzothiophen-3-ylmethyl)-3-methylcyclopentyl]methanamine (PubChem CID 65401475) has the molecular formula C16H21NS and a molecular weight of 259.42 g/mol. Its IUPAC name is [1-(1-benzothiophen-3-ylmethyl)-3-methylcyclopentyl]methanamine.

Molecular Properties

Compound Name[1-(1-benzothiophen-3-ylmethyl)-3-methylcyclopentyl]methanamine
PubChem CID65401475
Molecular FormulaC16H21NS
Molecular Weight259.42 g/mol
Exact Mass259.14
IUPAC Name[1-(1-benzothiophen-3-ylmethyl)-3-methylcyclopentyl]methanamine
SMILESCC1CCC(CN)(Cc2csc3ccccc23)C1
InChIInChI=1S/C16H21NS/c1-12-6-7-16(8-12,11-17)9-13-10-18-15-5-3-2-4-14(13)15/h2-5,10,12H,6-9,11,17H2,1H3
InChIKeyGKFDLOHIHFLMJF-UHFFFAOYSA-N
XLogP4.21
TPSA26.02 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 ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(1-benzothiophen-3-ylmethyl)cyclohexyl]methanamine
CID 63738318
1-[1-(aminomethyl)-4-methylcyclohexyl]-2-(1-benzothiophen-3-yl)ethanone
CID 116604066
N-(1-benzothiophen-3-ylmethyl)-1-(chloromethyl)-3-methylcyclohexan-1-amine
CID 65030020
1-(1-benzothiophen-3-ylmethyl)-2,3-dimethylcyclohexan-1-ol
CID 65154330
[1-[(2-bromophenyl)methyl]-3-methylcyclohexyl]methanamine
CID 65394458
[1-[(2,4-difluorophenyl)methyl]-3-methylcyclopentyl]methanamine
CID 65401068
2-(1-benzothiophen-3-yl)-1-(2-methylcyclopropyl)ethanamine
CID 65420177
[1-(aminomethyl)-3-methylcyclohexyl]-(1-benzothiophen-3-yl)methanol
CID 79138166
[1-[(4-fluoro-2-methylphenyl)methyl]-3-methylcyclopentyl]methanamine
CID 114349747
2-(1-benzothiophen-3-yl)-1-(1-methoxy-4-methylcyclohexyl)ethanone
CID 116749239
2-(1-benzothiophen-3-yl)-1-(3-methylcyclohexyl)ethanamine
CID 55231284
1-(1-benzothiophen-3-ylmethyl)-2,2-dimethylcyclohexan-1-amine
CID 79834589

Frequently Asked Questions

What is the IUPAC name of [1-(1-benzothiophen-3-ylmethyl)-3-methylcyclopentyl]methanamine?
The IUPAC name of [1-(1-benzothiophen-3-ylmethyl)-3-methylcyclopentyl]methanamine (CID 65401475) is [1-(1-benzothiophen-3-ylmethyl)-3-methylcyclopentyl]methanamine.
What is the SMILES notation for [1-(1-benzothiophen-3-ylmethyl)-3-methylcyclopentyl]methanamine?
The canonical SMILES for [1-(1-benzothiophen-3-ylmethyl)-3-methylcyclopentyl]methanamine is CC1CCC(CN)(Cc2csc3ccccc23)C1.
What is the InChIKey of [1-(1-benzothiophen-3-ylmethyl)-3-methylcyclopentyl]methanamine?
The InChIKey is GKFDLOHIHFLMJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NS/c1-12-6-7-16(8-12,11-17)9-13-10-18-15-5-3-2-4-14(13)15/h2-5,10,12H,6-9,11,17H2,1H3.
What are the key properties of [1-(1-benzothiophen-3-ylmethyl)-3-methylcyclopentyl]methanamine?
[1-(1-benzothiophen-3-ylmethyl)-3-methylcyclopentyl]methanamine has a molecular weight of 259.42 g/mol, XLogP of 4.21, 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-ylmethyl)-3-methylcyclopentyl]methanamine is sourced from PubChem (CID 65401475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).