N-(1-benzothiophen-3-ylmethyl)-1-cyclohexylmethanamine

C16H21NS — CID 55198456

IUPACN-(1-benzothiophen-3-ylmethyl)-1-cyclohexylmethanamine
SMILESc1ccc2c(CNCC3CCCCC3)csc2c1
InChIInChI=1S/C16H21NS/c1-2-6-13(7-3-1)10-17-11-14-12-18-16-9-5-4-8-15(14)16/h4-5,8-9,12-13,17H,1-3,6-7,10-11H2
InChIKeyAHUPDEZQJOHCDF-UHFFFAOYSA-N
MW259.42 g/mol
LogP4.57
Rot. Bonds4

About N-(1-benzothiophen-3-ylmethyl)-1-cyclohexylmethanamine

N-(1-benzothiophen-3-ylmethyl)-1-cyclohexylmethanamine (PubChem CID 55198456) has the molecular formula C16H21NS and a molecular weight of 259.42 g/mol. Its IUPAC name is N-(1-benzothiophen-3-ylmethyl)-1-cyclohexylmethanamine.

Molecular Properties

Compound NameN-(1-benzothiophen-3-ylmethyl)-1-cyclohexylmethanamine
PubChem CID55198456
Molecular FormulaC16H21NS
Molecular Weight259.42 g/mol
Exact Mass259.14
IUPAC NameN-(1-benzothiophen-3-ylmethyl)-1-cyclohexylmethanamine
SMILESc1ccc2c(CNCC3CCCCC3)csc2c1
InChIInChI=1S/C16H21NS/c1-2-6-13(7-3-1)10-17-11-14-12-18-16-9-5-4-8-15(14)16/h4-5,8-9,12-13,17H,1-3,6-7,10-11H2
InChIKeyAHUPDEZQJOHCDF-UHFFFAOYSA-N
XLogP4.57
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.42
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-benzothiophen-3-ylmethyl)-1-(thian-4-yl)methanamine
CID 113235576
3-[(1-benzothiophen-3-ylmethylamino)methyl]cyclobutan-1-amine
CID 115214140
4-[(1-benzothiophen-3-ylmethylamino)methyl]cyclohexane-1-carboxylic acid
CID 79529921
N-(1-benzothiophen-3-ylmethyl)cycloheptanamine
CID 55199785
N-(1-benzothiophen-3-ylmethyl)-1-(oxolan-2-yl)methanamine
CID 55023246
1-(1-benzothiophen-3-yl)-4-cyclohexylbutan-2-one
CID 114965584
N-(1-benzothiophen-3-ylmethyl)-1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)methanamine
CID 62698294
2-(1-benzothiophen-3-ylmethylamino)ethanol
CID 60705162
N-(1-benzothiophen-3-ylmethyl)-1-[(6S)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine
CID 95607549
2-[(cyclopentylmethylamino)methyl]phenol
CID 43370918
2-(1-benzothiophen-3-yl)-1-cyclooctylethanone
CID 80602136
(2S)-1-(1-benzothiophen-3-ylmethylamino)propan-2-ol
CID 94331216

Frequently Asked Questions

What is the IUPAC name of N-(1-benzothiophen-3-ylmethyl)-1-cyclohexylmethanamine?
The IUPAC name of N-(1-benzothiophen-3-ylmethyl)-1-cyclohexylmethanamine (CID 55198456) is N-(1-benzothiophen-3-ylmethyl)-1-cyclohexylmethanamine.
What is the SMILES notation for N-(1-benzothiophen-3-ylmethyl)-1-cyclohexylmethanamine?
The canonical SMILES for N-(1-benzothiophen-3-ylmethyl)-1-cyclohexylmethanamine is c1ccc2c(CNCC3CCCCC3)csc2c1.
What is the InChIKey of N-(1-benzothiophen-3-ylmethyl)-1-cyclohexylmethanamine?
The InChIKey is AHUPDEZQJOHCDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NS/c1-2-6-13(7-3-1)10-17-11-14-12-18-16-9-5-4-8-15(14)16/h4-5,8-9,12-13,17H,1-3,6-7,10-11H2.
What are the key properties of N-(1-benzothiophen-3-ylmethyl)-1-cyclohexylmethanamine?
N-(1-benzothiophen-3-ylmethyl)-1-cyclohexylmethanamine has a molecular weight of 259.42 g/mol, XLogP of 4.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzothiophen-3-ylmethyl)-1-cyclohexylmethanamine is sourced from PubChem (CID 55198456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).