1-(1-benzothiophen-3-yl)-1-cyclohexyl-N-methylmethanamine

C16H21NS — CID 43485797

IUPAC1-(1-benzothiophen-3-yl)-1-cyclohexyl-N-methylmethanamine
SMILESCNC(c1csc2ccccc12)C1CCCCC1
InChIInChI=1S/C16H21NS/c1-17-16(12-7-3-2-4-8-12)14-11-18-15-10-6-5-9-13(14)15/h5-6,9-12,16-17H,2-4,7-8H2,1H3
InChIKeyLZZYAZDRVZKRTG-UHFFFAOYSA-N
MW259.42 g/mol
LogP4.74
Rot. Bonds3

About 1-(1-benzothiophen-3-yl)-1-cyclohexyl-N-methylmethanamine

1-(1-benzothiophen-3-yl)-1-cyclohexyl-N-methylmethanamine (PubChem CID 43485797) has the molecular formula C16H21NS and a molecular weight of 259.42 g/mol. Its IUPAC name is 1-(1-benzothiophen-3-yl)-1-cyclohexyl-N-methylmethanamine.

Molecular Properties

Compound Name1-(1-benzothiophen-3-yl)-1-cyclohexyl-N-methylmethanamine
PubChem CID43485797
Molecular FormulaC16H21NS
Molecular Weight259.42 g/mol
Exact Mass259.14
IUPAC Name1-(1-benzothiophen-3-yl)-1-cyclohexyl-N-methylmethanamine
SMILESCNC(c1csc2ccccc12)C1CCCCC1
InChIInChI=1S/C16H21NS/c1-17-16(12-7-3-2-4-8-12)14-11-18-15-10-6-5-9-13(14)15/h5-6,9-12,16-17H,2-4,7-8H2,1H3
InChIKeyLZZYAZDRVZKRTG-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

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Related Compounds

1-(1-benzothiophen-3-yl)-N-methyl-1-(oxan-4-yl)methanamine
CID 55131784
[1-benzothiophen-3-yl(cyclohexyl)methyl]hydrazine
CID 105282068
1-(1-benzothiophen-3-yl)-N-methyl-1-(2-methylcyclopentyl)methanamine
CID 107177277
1-(1-benzothiophen-3-yl)-2-cyclohexyl-N-methylethanamine
CID 43485761
1-(1-benzothiophen-3-yl)-N-methyl-1-pyrrolidin-2-ylmethanamine
CID 116950981
(1R)-1-(1-benzothiophen-3-yl)-N-methyl-1-[(1S,2S)-2-methylcyclopropyl]methanamine
CID 98219426
3-[bromo(cyclooctyl)methyl]-1-benzothiophene
CID 65020600
(S)-1-benzothiophen-3-yl(cyclohexyl)methanamine;hydrochloride
CID 171224599
4-[[1-benzothiophen-3-yl(cyclohexyl)methyl]amino]benzoic acid
CID 66777972
(S)-1-benzothiophen-3-yl(cyclopentyl)methanamine
CID 93025479
1-(1-benzothiophen-3-yl)-2-cyclobutyl-N-methylethanamine
CID 115863679
3-[chloro(cyclohexyl)methyl]-1-benzothiophene;thionyl dichloride
CID 159655560

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-3-yl)-1-cyclohexyl-N-methylmethanamine?
The IUPAC name of 1-(1-benzothiophen-3-yl)-1-cyclohexyl-N-methylmethanamine (CID 43485797) is 1-(1-benzothiophen-3-yl)-1-cyclohexyl-N-methylmethanamine.
What is the SMILES notation for 1-(1-benzothiophen-3-yl)-1-cyclohexyl-N-methylmethanamine?
The canonical SMILES for 1-(1-benzothiophen-3-yl)-1-cyclohexyl-N-methylmethanamine is CNC(c1csc2ccccc12)C1CCCCC1.
What is the InChIKey of 1-(1-benzothiophen-3-yl)-1-cyclohexyl-N-methylmethanamine?
The InChIKey is LZZYAZDRVZKRTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NS/c1-17-16(12-7-3-2-4-8-12)14-11-18-15-10-6-5-9-13(14)15/h5-6,9-12,16-17H,2-4,7-8H2,1H3.
What are the key properties of 1-(1-benzothiophen-3-yl)-1-cyclohexyl-N-methylmethanamine?
1-(1-benzothiophen-3-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-3-yl)-1-cyclohexyl-N-methylmethanamine is sourced from PubChem (CID 43485797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).