1-(1-benzothiophen-7-yl)-1-cyclohexyl-N-methylmethanamine

C16H21NS — CID 81153893

IUPAC1-(1-benzothiophen-7-yl)-1-cyclohexyl-N-methylmethanamine
SMILESCNC(c1cccc2ccsc12)C1CCCCC1
InChIInChI=1S/C16H21NS/c1-17-15(12-6-3-2-4-7-12)14-9-5-8-13-10-11-18-16(13)14/h5,8-12,15,17H,2-4,6-7H2,1H3
InChIKeyNVULUIWSXSOQSV-UHFFFAOYSA-N
MW259.42 g/mol
LogP4.74
Rot. Bonds3

About 1-(1-benzothiophen-7-yl)-1-cyclohexyl-N-methylmethanamine

1-(1-benzothiophen-7-yl)-1-cyclohexyl-N-methylmethanamine (PubChem CID 81153893) has the molecular formula C16H21NS and a molecular weight of 259.42 g/mol. Its IUPAC name is 1-(1-benzothiophen-7-yl)-1-cyclohexyl-N-methylmethanamine.

Molecular Properties

Compound Name1-(1-benzothiophen-7-yl)-1-cyclohexyl-N-methylmethanamine
PubChem CID81153893
Molecular FormulaC16H21NS
Molecular Weight259.42 g/mol
Exact Mass259.14
IUPAC Name1-(1-benzothiophen-7-yl)-1-cyclohexyl-N-methylmethanamine
SMILESCNC(c1cccc2ccsc12)C1CCCCC1
InChIInChI=1S/C16H21NS/c1-17-15(12-6-3-2-4-7-12)14-9-5-8-13-10-11-18-16(13)14/h5,8-12,15,17H,2-4,6-7H2,1H3
InChIKeyNVULUIWSXSOQSV-UHFFFAOYSA-N
XLogP4.74
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 ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(1-benzothiophen-7-yl)-1-cyclohexyl-N-methylmethanamine 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

N-[1-benzothiophen-7-yl(cyclohexyl)methyl]propan-1-amine
CID 81154118
[1-benzothiophen-7-yl-(3-methylcyclohexyl)methyl]hydrazine
CID 105210240
1-cyclopentyl-N-methyl-1-(2-methylthiophen-3-yl)methanamine
CID 102832026
N-[1-benzothiophen-7-yl(oxan-4-yl)methyl]ethanamine
CID 81153210
N-[1-benzothiophen-7-yl(oxan-3-yl)methyl]ethanamine
CID 81153499
1-cyclopentyl-N-methyl-1-quinolin-8-ylmethanamine
CID 81231662
1-(1-benzothiophen-7-yl)-2-cyclopentylethanol
CID 115827369
1-cycloheptyl-1-isoquinolin-8-yl-N-methylmethanamine
CID 103136425
1-(3-chloro-2-methylphenyl)-1-cycloheptyl-N-methylmethanamine
CID 107103005
1-(3-bromo-2-methylphenyl)-1-cyclohexyl-N-methylmethanamine
CID 114980961
1-(1-benzothiophen-7-yl)-1-(1-methoxycyclohexyl)-N-methylmethanamine
CID 116762819
1-(3-bromo-2-chlorophenyl)-1-cyclohexyl-N-methylmethanamine
CID 114981468

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-7-yl)-1-cyclohexyl-N-methylmethanamine?
The IUPAC name of 1-(1-benzothiophen-7-yl)-1-cyclohexyl-N-methylmethanamine (CID 81153893) is 1-(1-benzothiophen-7-yl)-1-cyclohexyl-N-methylmethanamine.
What is the SMILES notation for 1-(1-benzothiophen-7-yl)-1-cyclohexyl-N-methylmethanamine?
The canonical SMILES for 1-(1-benzothiophen-7-yl)-1-cyclohexyl-N-methylmethanamine is CNC(c1cccc2ccsc12)C1CCCCC1.
What is the InChIKey of 1-(1-benzothiophen-7-yl)-1-cyclohexyl-N-methylmethanamine?
The InChIKey is NVULUIWSXSOQSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NS/c1-17-15(12-6-3-2-4-7-12)14-9-5-8-13-10-11-18-16(13)14/h5,8-12,15,17H,2-4,6-7H2,1H3.
What are the key properties of 1-(1-benzothiophen-7-yl)-1-cyclohexyl-N-methylmethanamine?
1-(1-benzothiophen-7-yl)-1-cyclohexyl-N-methylmethanamine has a molecular weight of 259.42 g/mol, XLogP of 4.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-7-yl)-1-cyclohexyl-N-methylmethanamine is sourced from PubChem (CID 81153893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).