N-[1-(3-methyl-1-benzothiophen-2-yl)ethyl]cyclobutanamine

C15H19NS — CID 62415142

IUPACN-[1-(3-methyl-1-benzothiophen-2-yl)ethyl]cyclobutanamine
SMILESCc1c(C(C)NC2CCC2)sc2ccccc12
InChIInChI=1S/C15H19NS/c1-10-13-8-3-4-9-14(13)17-15(10)11(2)16-12-6-5-7-12/h3-4,8-9,11-12,16H,5-7H2,1-2H3
InChIKeyZETVBIBDQGRFQD-UHFFFAOYSA-N
MW245.39 g/mol
LogP4.41
Rot. Bonds3

About N-[1-(3-methyl-1-benzothiophen-2-yl)ethyl]cyclobutanamine

N-[1-(3-methyl-1-benzothiophen-2-yl)ethyl]cyclobutanamine (PubChem CID 62415142) has the molecular formula C15H19NS and a molecular weight of 245.39 g/mol. Its IUPAC name is N-[1-(3-methyl-1-benzothiophen-2-yl)ethyl]cyclobutanamine.

Molecular Properties

Compound NameN-[1-(3-methyl-1-benzothiophen-2-yl)ethyl]cyclobutanamine
PubChem CID62415142
Molecular FormulaC15H19NS
Molecular Weight245.39 g/mol
Exact Mass245.12
IUPAC NameN-[1-(3-methyl-1-benzothiophen-2-yl)ethyl]cyclobutanamine
SMILESCc1c(C(C)NC2CCC2)sc2ccccc12
InChIInChI=1S/C15H19NS/c1-10-13-8-3-4-9-14(13)17-15(10)11(2)16-12-6-5-7-12/h3-4,8-9,11-12,16H,5-7H2,1-2H3
InChIKeyZETVBIBDQGRFQD-UHFFFAOYSA-N
XLogP4.41
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.39
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methoxy-N-[1-(3-methyl-1-benzothiophen-2-yl)ethyl]cyclobutan-1-amine
CID 104871139
2-[1-(3-methyl-1-benzothiophen-2-yl)ethylamino]cyclopentane-1-carbonitrile
CID 62962024
[2-[1-(3-methyl-1-benzothiophen-2-yl)ethylamino]cyclohexyl]methanol
CID 106359765
N-[1-(3-methyl-1-benzothiophen-2-yl)ethyl]hydroxylamine
CID 82684826
2,4-dimethyl-N-[1-(3-methyl-1-benzothiophen-2-yl)ethyl]cyclohexan-1-amine
CID 63995668
N-(2-cyclopentylethyl)-1-(3-methyl-1-benzothiophen-2-yl)ethanamine
CID 63450474
1-(3-methyl-1-benzothiophen-2-yl)-N-(oxolan-2-ylmethyl)ethanamine
CID 43765466
(1R)-N-[1-(3-methyl-1-benzothiophen-2-yl)ethyl]-1-phenylethanamine
CID 81351876
1-(3-methyl-1-benzothiophen-2-yl)-N-[(1-methylpyrrolidin-2-yl)methyl]ethanamine
CID 106024105
1-(3-methyl-1-benzothiophen-2-yl)-N-(oxan-4-ylmethyl)ethanamine
CID 63727312
1-(3-methyl-1-benzothiophen-2-yl)-N-[(3-methylcyclopentyl)methyl]ethanamine
CID 107411946
N'-cyclopropyl-N'-methyl-N-[1-(3-methyl-1-benzothiophen-2-yl)ethyl]ethane-1,2-diamine
CID 62975731

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-methyl-1-benzothiophen-2-yl)ethyl]cyclobutanamine?
The IUPAC name of N-[1-(3-methyl-1-benzothiophen-2-yl)ethyl]cyclobutanamine (CID 62415142) is N-[1-(3-methyl-1-benzothiophen-2-yl)ethyl]cyclobutanamine.
What is the SMILES notation for N-[1-(3-methyl-1-benzothiophen-2-yl)ethyl]cyclobutanamine?
The canonical SMILES for N-[1-(3-methyl-1-benzothiophen-2-yl)ethyl]cyclobutanamine is Cc1c(C(C)NC2CCC2)sc2ccccc12.
What is the InChIKey of N-[1-(3-methyl-1-benzothiophen-2-yl)ethyl]cyclobutanamine?
The InChIKey is ZETVBIBDQGRFQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NS/c1-10-13-8-3-4-9-14(13)17-15(10)11(2)16-12-6-5-7-12/h3-4,8-9,11-12,16H,5-7H2,1-2H3.
What are the key properties of N-[1-(3-methyl-1-benzothiophen-2-yl)ethyl]cyclobutanamine?
N-[1-(3-methyl-1-benzothiophen-2-yl)ethyl]cyclobutanamine has a molecular weight of 245.39 g/mol, XLogP of 4.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-methyl-1-benzothiophen-2-yl)ethyl]cyclobutanamine is sourced from PubChem (CID 62415142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).