N-(1-cyclohexylethyl)-1-benzothiophen-5-amine

C16H21NS — CID 43781950

IUPACN-(1-cyclohexylethyl)-1-benzothiophen-5-amine
SMILESCC(Nc1ccc2sccc2c1)C1CCCCC1
InChIInChI=1S/C16H21NS/c1-12(13-5-3-2-4-6-13)17-15-7-8-16-14(11-15)9-10-18-16/h7-13,17H,2-6H2,1H3
InChIKeyUPMZBHAPHAKAFE-UHFFFAOYSA-N
MW259.42 g/mol
LogP5.28
Rot. Bonds3

About N-(1-cyclohexylethyl)-1-benzothiophen-5-amine

N-(1-cyclohexylethyl)-1-benzothiophen-5-amine (PubChem CID 43781950) has the molecular formula C16H21NS and a molecular weight of 259.42 g/mol. Its IUPAC name is N-(1-cyclohexylethyl)-1-benzothiophen-5-amine.

Molecular Properties

Compound NameN-(1-cyclohexylethyl)-1-benzothiophen-5-amine
PubChem CID43781950
Molecular FormulaC16H21NS
Molecular Weight259.42 g/mol
Exact Mass259.14
IUPAC NameN-(1-cyclohexylethyl)-1-benzothiophen-5-amine
SMILESCC(Nc1ccc2sccc2c1)C1CCCCC1
InChIInChI=1S/C16H21NS/c1-12(13-5-3-2-4-6-13)17-15-7-8-16-14(11-15)9-10-18-16/h7-13,17H,2-6H2,1H3
InChIKeyUPMZBHAPHAKAFE-UHFFFAOYSA-N
XLogP5.28
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500259.42
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-N-(1-cyclohexylethyl)-3-fluoroaniline
CID 43786160
N-[cyclopropyl(phenyl)methyl]-1-benzothiophen-5-amine
CID 63434078
2-(1-benzothiophen-5-ylamino)-2-cyclopropylacetic acid
CID 103252360
N-(1-cyclopentylethyl)-3,4-dimethylaniline
CID 62634053
N-[(1R)-1-cyclohexylethyl]-4-methoxyaniline
CID 101388874
2-(1-benzothiophen-5-ylamino)propanoic acid
CID 65475467
3-bromo-N-(1-cyclohexylethyl)-4-methylaniline
CID 55192209
N-(1-cyclohexylethyl)-3-methylaniline
CID 43755613
3-bromo-N-(1-cyclohexylethyl)-4-fluoroaniline
CID 113451928
4-(1-cyclohexylethylamino)benzene-1,2-dicarbonitrile
CID 107788205
3-chloro-N-(1-cyclohexylethyl)aniline
CID 43762066
N-[1-(2,4,5-trimethylphenyl)ethyl]-1-benzothiophen-5-amine
CID 43687640

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclohexylethyl)-1-benzothiophen-5-amine?
The IUPAC name of N-(1-cyclohexylethyl)-1-benzothiophen-5-amine (CID 43781950) is N-(1-cyclohexylethyl)-1-benzothiophen-5-amine.
What is the SMILES notation for N-(1-cyclohexylethyl)-1-benzothiophen-5-amine?
The canonical SMILES for N-(1-cyclohexylethyl)-1-benzothiophen-5-amine is CC(Nc1ccc2sccc2c1)C1CCCCC1.
What is the InChIKey of N-(1-cyclohexylethyl)-1-benzothiophen-5-amine?
The InChIKey is UPMZBHAPHAKAFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NS/c1-12(13-5-3-2-4-6-13)17-15-7-8-16-14(11-15)9-10-18-16/h7-13,17H,2-6H2,1H3.
What are the key properties of N-(1-cyclohexylethyl)-1-benzothiophen-5-amine?
N-(1-cyclohexylethyl)-1-benzothiophen-5-amine has a molecular weight of 259.42 g/mol, XLogP of 5.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclohexylethyl)-1-benzothiophen-5-amine is sourced from PubChem (CID 43781950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).