1-cyclopentyl-N-methyl-N-[[2-(methylaminomethyl)-1-benzothiophen-3-yl]methyl]methanamine

C18H26N2S — CID 63654913

IUPAC1-cyclopentyl-N-methyl-N-[[2-(methylaminomethyl)-1-benzothiophen-3-yl]methyl]methanamine
SMILESCNCc1sc2ccccc2c1CN(C)CC1CCCC1
InChIInChI=1S/C18H26N2S/c1-19-11-18-16(15-9-5-6-10-17(15)21-18)13-20(2)12-14-7-3-4-8-14/h5-6,9-10,14,19H,3-4,7-8,11-13H2,1-2H3
InChIKeyOZNGVGNNCBGBLT-UHFFFAOYSA-N
MW302.49 g/mol
LogP4.24
Rot. Bonds6

About 1-cyclopentyl-N-methyl-N-[[2-(methylaminomethyl)-1-benzothiophen-3-yl]methyl]methanamine

1-cyclopentyl-N-methyl-N-[[2-(methylaminomethyl)-1-benzothiophen-3-yl]methyl]methanamine (PubChem CID 63654913) has the molecular formula C18H26N2S and a molecular weight of 302.49 g/mol. Its IUPAC name is 1-cyclopentyl-N-methyl-N-[[2-(methylaminomethyl)-1-benzothiophen-3-yl]methyl]methanamine.

Molecular Properties

Compound Name1-cyclopentyl-N-methyl-N-[[2-(methylaminomethyl)-1-benzothiophen-3-yl]methyl]methanamine
PubChem CID63654913
Molecular FormulaC18H26N2S
Molecular Weight302.49 g/mol
Exact Mass302.18
IUPAC Name1-cyclopentyl-N-methyl-N-[[2-(methylaminomethyl)-1-benzothiophen-3-yl]methyl]methanamine
SMILESCNCc1sc2ccccc2c1CN(C)CC1CCCC1
InChIInChI=1S/C18H26N2S/c1-19-11-18-16(15-9-5-6-10-17(15)21-18)13-20(2)12-14-7-3-4-8-14/h5-6,9-10,14,19H,3-4,7-8,11-13H2,1-2H3
InChIKeyOZNGVGNNCBGBLT-UHFFFAOYSA-N
XLogP4.24
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.49
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclobutyl-N-[[4-fluoro-2-(methylaminomethyl)-1-benzothiophen-3-yl]methyl]-N-methylmethanamine
CID 62855871
N,N,N'-trimethyl-N'-[[2-(methylaminomethyl)-1-benzothiophen-3-yl]methyl]ethane-1,2-diamine
CID 63701253
1-cyclohexyl-N-methyl-N-[[5-(methylaminomethyl)thiophen-2-yl]methyl]methanamine
CID 107555360
1-[3-(methoxymethyl)-1-benzothiophen-2-yl]-N-methylmethanamine
CID 62445616
N-[[3-(cyclopentyloxymethyl)-1-benzothiophen-2-yl]methyl]propan-2-amine
CID 62444036
N-methyl-1-[3-[(3-methylpyrrolidin-1-yl)methyl]-1-benzothiophen-2-yl]methanamine
CID 62427654
1-cyclohexyl-N-methyl-N-[[6-(methylaminomethyl)-2-pyridinyl]methyl]methanamine
CID 106905342
N-[[4-fluoro-2-(methylaminomethyl)-1-benzothiophen-3-yl]methyl]-N-methylcyclopentanamine
CID 62419083
N-methyl-1-[3-(thiomorpholin-4-ylmethyl)-1-benzothiophen-2-yl]methanamine
CID 62418648
N-(cyclopentylmethyl)-N-methyl-2-(methylaminomethyl)aniline
CID 63630728
N-[(3-propyl-1-benzothiophen-2-yl)methyl]propan-2-amine
CID 114378013
N-[[3-[[2-methoxyethyl(methyl)amino]methyl]-1-benzothiophen-2-yl]methyl]propan-1-amine
CID 62446892

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-methyl-N-[[2-(methylaminomethyl)-1-benzothiophen-3-yl]methyl]methanamine?
The IUPAC name of 1-cyclopentyl-N-methyl-N-[[2-(methylaminomethyl)-1-benzothiophen-3-yl]methyl]methanamine (CID 63654913) is 1-cyclopentyl-N-methyl-N-[[2-(methylaminomethyl)-1-benzothiophen-3-yl]methyl]methanamine.
What is the SMILES notation for 1-cyclopentyl-N-methyl-N-[[2-(methylaminomethyl)-1-benzothiophen-3-yl]methyl]methanamine?
The canonical SMILES for 1-cyclopentyl-N-methyl-N-[[2-(methylaminomethyl)-1-benzothiophen-3-yl]methyl]methanamine is CNCc1sc2ccccc2c1CN(C)CC1CCCC1.
What is the InChIKey of 1-cyclopentyl-N-methyl-N-[[2-(methylaminomethyl)-1-benzothiophen-3-yl]methyl]methanamine?
The InChIKey is OZNGVGNNCBGBLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2S/c1-19-11-18-16(15-9-5-6-10-17(15)21-18)13-20(2)12-14-7-3-4-8-14/h5-6,9-10,14,19H,3-4,7-8,11-13H2,1-2H3.
What are the key properties of 1-cyclopentyl-N-methyl-N-[[2-(methylaminomethyl)-1-benzothiophen-3-yl]methyl]methanamine?
1-cyclopentyl-N-methyl-N-[[2-(methylaminomethyl)-1-benzothiophen-3-yl]methyl]methanamine has a molecular weight of 302.49 g/mol, XLogP of 4.24, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-methyl-N-[[2-(methylaminomethyl)-1-benzothiophen-3-yl]methyl]methanamine is sourced from PubChem (CID 63654913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).