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

C17H25NS — CID 105176241

IUPAC1-cycloheptyl-1-(2,3-dihydro-1-benzothiophen-3-yl)-N-methylmethanamine
SMILESCNC(C1CCCCCC1)C1CSc2ccccc21
InChIInChI=1S/C17H25NS/c1-18-17(13-8-4-2-3-5-9-13)15-12-19-16-11-7-6-10-14(15)16/h6-7,10-11,13,15,17-18H,2-5,8-9,12H2,1H3
InChIKeyXIVBYKYEUYQBTR-UHFFFAOYSA-N
MW275.46 g/mol
LogP4.43
Rot. Bonds3

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

1-cycloheptyl-1-(2,3-dihydro-1-benzothiophen-3-yl)-N-methylmethanamine (PubChem CID 105176241) has the molecular formula C17H25NS and a molecular weight of 275.46 g/mol. Its IUPAC name is 1-cycloheptyl-1-(2,3-dihydro-1-benzothiophen-3-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-cycloheptyl-1-(2,3-dihydro-1-benzothiophen-3-yl)-N-methylmethanamine
PubChem CID105176241
Molecular FormulaC17H25NS
Molecular Weight275.46 g/mol
Exact Mass275.17
IUPAC Name1-cycloheptyl-1-(2,3-dihydro-1-benzothiophen-3-yl)-N-methylmethanamine
SMILESCNC(C1CCCCCC1)C1CSc2ccccc21
InChIInChI=1S/C17H25NS/c1-18-17(13-8-4-2-3-5-9-13)15-12-19-16-11-7-6-10-14(15)16/h6-7,10-11,13,15,17-18H,2-5,8-9,12H2,1H3
InChIKeyXIVBYKYEUYQBTR-UHFFFAOYSA-N
XLogP4.43
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.46
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclohexyl-1-(2,3-dihydro-1-benzothiophen-3-yl)-N-methylmethanamine
CID 105079433
[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-cycloheptyl-1-(2,3-dihydro-1-benzothiophen-3-yl)-N-methylmethanamine?
The IUPAC name of 1-cycloheptyl-1-(2,3-dihydro-1-benzothiophen-3-yl)-N-methylmethanamine (CID 105176241) is 1-cycloheptyl-1-(2,3-dihydro-1-benzothiophen-3-yl)-N-methylmethanamine.
What is the SMILES notation for 1-cycloheptyl-1-(2,3-dihydro-1-benzothiophen-3-yl)-N-methylmethanamine?
The canonical SMILES for 1-cycloheptyl-1-(2,3-dihydro-1-benzothiophen-3-yl)-N-methylmethanamine is CNC(C1CCCCCC1)C1CSc2ccccc21.
What is the InChIKey of 1-cycloheptyl-1-(2,3-dihydro-1-benzothiophen-3-yl)-N-methylmethanamine?
The InChIKey is XIVBYKYEUYQBTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NS/c1-18-17(13-8-4-2-3-5-9-13)15-12-19-16-11-7-6-10-14(15)16/h6-7,10-11,13,15,17-18H,2-5,8-9,12H2,1H3.
What are the key properties of 1-cycloheptyl-1-(2,3-dihydro-1-benzothiophen-3-yl)-N-methylmethanamine?
1-cycloheptyl-1-(2,3-dihydro-1-benzothiophen-3-yl)-N-methylmethanamine has a molecular weight of 275.46 g/mol, XLogP of 4.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-1-(2,3-dihydro-1-benzothiophen-3-yl)-N-methylmethanamine is sourced from PubChem (CID 105176241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).