1-cyclohexyl-1-(2,3-dihydro-1-benzothiophen-3-yl)-N-methylmethanamine

C16H23NS — CID 105079433

IUPAC1-cyclohexyl-1-(2,3-dihydro-1-benzothiophen-3-yl)-N-methylmethanamine
SMILESCNC(C1CCCCC1)C1CSc2ccccc21
InChIInChI=1S/C16H23NS/c1-17-16(12-7-3-2-4-8-12)14-11-18-15-10-6-5-9-13(14)15/h5-6,9-10,12,14,16-17H,2-4,7-8,11H2,1H3
InChIKeyPDEGMWCKBCCYCX-UHFFFAOYSA-N
MW261.43 g/mol
LogP4.04
Rot. Bonds3

About 1-cyclohexyl-1-(2,3-dihydro-1-benzothiophen-3-yl)-N-methylmethanamine

1-cyclohexyl-1-(2,3-dihydro-1-benzothiophen-3-yl)-N-methylmethanamine (PubChem CID 105079433) has the molecular formula C16H23NS and a molecular weight of 261.43 g/mol. Its IUPAC name is 1-cyclohexyl-1-(2,3-dihydro-1-benzothiophen-3-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-cyclohexyl-1-(2,3-dihydro-1-benzothiophen-3-yl)-N-methylmethanamine
PubChem CID105079433
Molecular FormulaC16H23NS
Molecular Weight261.43 g/mol
Exact Mass261.16
IUPAC Name1-cyclohexyl-1-(2,3-dihydro-1-benzothiophen-3-yl)-N-methylmethanamine
SMILESCNC(C1CCCCC1)C1CSc2ccccc21
InChIInChI=1S/C16H23NS/c1-17-16(12-7-3-2-4-8-12)14-11-18-15-10-6-5-9-13(14)15/h5-6,9-10,12,14,16-17H,2-4,7-8,11H2,1H3
InChIKeyPDEGMWCKBCCYCX-UHFFFAOYSA-N
XLogP4.04
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.43
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-cyclohexyl-1-(2,3-dihydro-1-benzothiophen-3-yl)-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

1-cycloheptyl-1-(2,3-dihydro-1-benzothiophen-3-yl)-N-methylmethanamine
CID 105176241
[cyclopropyl(2,3-dihydro-1-benzothiophen-3-yl)methyl]hydrazine
CID 105314544
[2,3-dihydro-1-benzothiophen-3-yl-(3-methylcyclohexyl)methyl]hydrazine
CID 105313541
1-(2,3-dihydro-1-benzothiophen-3-yl)-4,4,4-trifluoro-N-methylbutan-1-amine
CID 105156258
1-(2,3-dihydro-1-benzothiophen-3-yl)-N,3-dimethylbut-2-en-1-amine
CID 105163222
2-cyclopentyl-1-(2,3-dihydro-1-benzothiophen-3-yl)ethanamine
CID 105138979
2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(2,3-dihydro-1-benzothiophen-3-yl)-N-methylethanamine
CID 105162705
1-(2,3-dihydro-1-benzothiophen-3-yl)-N-methyl-3-methylidenepentan-1-amine
CID 105163853
1-(2,3-dihydro-1-benzothiophen-3-yl)-N-methyl-3-methylsulfonylpropan-1-amine
CID 114984074
1-(2,3-dihydro-1-benzothiophen-3-yl)-N-methylhex-5-en-1-amine
CID 105152995
1-(2,3-dihydro-1-benzothiophen-3-yl)-1-(4-ethylphenyl)-N-methylmethanamine
CID 105121368
1-(2,3-dihydro-1-benzothiophen-3-yl)-N-methyl-4-(oxolan-2-yl)butan-1-amine
CID 105156538

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-1-(2,3-dihydro-1-benzothiophen-3-yl)-N-methylmethanamine?
The IUPAC name of 1-cyclohexyl-1-(2,3-dihydro-1-benzothiophen-3-yl)-N-methylmethanamine (CID 105079433) is 1-cyclohexyl-1-(2,3-dihydro-1-benzothiophen-3-yl)-N-methylmethanamine.
What is the SMILES notation for 1-cyclohexyl-1-(2,3-dihydro-1-benzothiophen-3-yl)-N-methylmethanamine?
The canonical SMILES for 1-cyclohexyl-1-(2,3-dihydro-1-benzothiophen-3-yl)-N-methylmethanamine is CNC(C1CCCCC1)C1CSc2ccccc21.
What is the InChIKey of 1-cyclohexyl-1-(2,3-dihydro-1-benzothiophen-3-yl)-N-methylmethanamine?
The InChIKey is PDEGMWCKBCCYCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NS/c1-17-16(12-7-3-2-4-8-12)14-11-18-15-10-6-5-9-13(14)15/h5-6,9-10,12,14,16-17H,2-4,7-8,11H2,1H3.
What are the key properties of 1-cyclohexyl-1-(2,3-dihydro-1-benzothiophen-3-yl)-N-methylmethanamine?
1-cyclohexyl-1-(2,3-dihydro-1-benzothiophen-3-yl)-N-methylmethanamine has a molecular weight of 261.43 g/mol, XLogP of 4.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-1-(2,3-dihydro-1-benzothiophen-3-yl)-N-methylmethanamine is sourced from PubChem (CID 105079433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).