cyclohepten-1-yl(2,3-dihydro-1-benzothiophen-3-yl)methanamine

C16H21NS — CID 106657047

IUPACcyclohepten-1-yl(2,3-dihydro-1-benzothiophen-3-yl)methanamine
SMILESNC(C1=CCCCCC1)C1CSc2ccccc21
InChIInChI=1S/C16H21NS/c17-16(12-7-3-1-2-4-8-12)14-11-18-15-10-6-5-9-13(14)15/h5-7,9-10,14,16H,1-4,8,11,17H2
InChIKeyITEZUIBWFKKSDP-UHFFFAOYSA-N
MW259.42 g/mol
LogP4.09
Rot. Bonds2

About cyclohepten-1-yl(2,3-dihydro-1-benzothiophen-3-yl)methanamine

cyclohepten-1-yl(2,3-dihydro-1-benzothiophen-3-yl)methanamine (PubChem CID 106657047) has the molecular formula C16H21NS and a molecular weight of 259.42 g/mol. Its IUPAC name is cyclohepten-1-yl(2,3-dihydro-1-benzothiophen-3-yl)methanamine.

Molecular Properties

Compound Namecyclohepten-1-yl(2,3-dihydro-1-benzothiophen-3-yl)methanamine
PubChem CID106657047
Molecular FormulaC16H21NS
Molecular Weight259.42 g/mol
Exact Mass259.14
IUPAC Namecyclohepten-1-yl(2,3-dihydro-1-benzothiophen-3-yl)methanamine
SMILESNC(C1=CCCCCC1)C1CSc2ccccc21
InChIInChI=1S/C16H21NS/c17-16(12-7-3-1-2-4-8-12)14-11-18-15-10-6-5-9-13(14)15/h5-7,9-10,14,16H,1-4,8,11,17H2
InChIKeyITEZUIBWFKKSDP-UHFFFAOYSA-N
XLogP4.09
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.42
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze cyclohepten-1-yl(2,3-dihydro-1-benzothiophen-3-yl)methanamine 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

[(1E)-cycloocten-1-yl]-(2,3-dihydro-1-benzothiophen-3-yl)methanol
CID 106657550
N-[[(1E)-cycloocten-1-yl]-(2,3-dihydro-1-benzothiophen-3-yl)methyl]ethanamine
CID 106656525
cyclohexen-1-yl(2,3-dihydro-1-benzothiophen-2-yl)methanamine
CID 106657385
2,3-dihydro-1-benzothiophen-3-yl(furan-3-yl)methanamine
CID 105146701
2,3-dihydro-1-benzothiophen-3-yl-(3-methylthiophen-2-yl)methanamine
CID 105166501
2,3-dihydro-1-benzothiophen-3-yl-(2,3-dimethylphenyl)methanamine
CID 105140626
cyclohepten-1-yl(cyclopentyl)methanamine
CID 62079813
2,3-dihydro-1-benzothiophen-3-yl(3,4-dihydro-2H-chromen-8-yl)methanamine
CID 105187280
2,3-dihydro-1-benzothiophen-3-yl-(1-methylimidazol-2-yl)methanamine
CID 105149588
2-cyclopentyl-1-(2,3-dihydro-1-benzothiophen-3-yl)ethanamine
CID 105138979
1-(2,3-dihydro-1-benzothiophen-3-yl)-4-methylpentan-1-amine
CID 105126981
1-(2,3-dihydro-1-benzothiophen-3-yl)but-3-yn-1-amine
CID 105077457

Frequently Asked Questions

What is the IUPAC name of cyclohepten-1-yl(2,3-dihydro-1-benzothiophen-3-yl)methanamine?
The IUPAC name of cyclohepten-1-yl(2,3-dihydro-1-benzothiophen-3-yl)methanamine (CID 106657047) is cyclohepten-1-yl(2,3-dihydro-1-benzothiophen-3-yl)methanamine.
What is the SMILES notation for cyclohepten-1-yl(2,3-dihydro-1-benzothiophen-3-yl)methanamine?
The canonical SMILES for cyclohepten-1-yl(2,3-dihydro-1-benzothiophen-3-yl)methanamine is NC(C1=CCCCCC1)C1CSc2ccccc21.
What is the InChIKey of cyclohepten-1-yl(2,3-dihydro-1-benzothiophen-3-yl)methanamine?
The InChIKey is ITEZUIBWFKKSDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NS/c17-16(12-7-3-1-2-4-8-12)14-11-18-15-10-6-5-9-13(14)15/h5-7,9-10,14,16H,1-4,8,11,17H2.
What are the key properties of cyclohepten-1-yl(2,3-dihydro-1-benzothiophen-3-yl)methanamine?
cyclohepten-1-yl(2,3-dihydro-1-benzothiophen-3-yl)methanamine has a molecular weight of 259.42 g/mol, XLogP of 4.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohepten-1-yl(2,3-dihydro-1-benzothiophen-3-yl)methanamine is sourced from PubChem (CID 106657047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).