1-(1-benzothiophen-3-yl)-2-cyclobutyl-N-methylethanamine

C15H19NS — CID 115863679

IUPAC1-(1-benzothiophen-3-yl)-2-cyclobutyl-N-methylethanamine
SMILESCNC(CC1CCC1)c1csc2ccccc12
InChIInChI=1S/C15H19NS/c1-16-14(9-11-5-4-6-11)13-10-17-15-8-3-2-7-12(13)15/h2-3,7-8,10-11,14,16H,4-6,9H2,1H3
InChIKeySHBCJJYETWYLKR-UHFFFAOYSA-N
MW245.39 g/mol
LogP4.35
Rot. Bonds4

About 1-(1-benzothiophen-3-yl)-2-cyclobutyl-N-methylethanamine

1-(1-benzothiophen-3-yl)-2-cyclobutyl-N-methylethanamine (PubChem CID 115863679) has the molecular formula C15H19NS and a molecular weight of 245.39 g/mol. Its IUPAC name is 1-(1-benzothiophen-3-yl)-2-cyclobutyl-N-methylethanamine.

Molecular Properties

Compound Name1-(1-benzothiophen-3-yl)-2-cyclobutyl-N-methylethanamine
PubChem CID115863679
Molecular FormulaC15H19NS
Molecular Weight245.39 g/mol
Exact Mass245.12
IUPAC Name1-(1-benzothiophen-3-yl)-2-cyclobutyl-N-methylethanamine
SMILESCNC(CC1CCC1)c1csc2ccccc12
InChIInChI=1S/C15H19NS/c1-16-14(9-11-5-4-6-11)13-10-17-15-8-3-2-7-12(13)15/h2-3,7-8,10-11,14,16H,4-6,9H2,1H3
InChIKeySHBCJJYETWYLKR-UHFFFAOYSA-N
XLogP4.35
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.39
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-benzothiophen-3-yl)-2-cyclohexyl-N-methylethanamine
CID 43485761
1-(1-benzothiophen-3-yl)-2-(2-bicyclo[2.2.1]heptanyl)-N-methylethanamine
CID 43485837
1-(1-benzothiophen-3-yl)-1-cyclohexyl-N-methylmethanamine
CID 43485797
3-(1-chloro-2-cyclohexylethyl)-1-benzothiophene
CID 55200427
1-(1-benzothiophen-3-yl)-3-cyclohexyl-N-ethylpropan-1-amine
CID 43492319
3-(1-benzothiophen-3-yl)-3-(methylamino)propan-1-ol
CID 116952885
1-(1-benzothiophen-3-yl)-N-methylpropane-1,3-diamine
CID 116948479
1-(1-benzothiophen-3-yl)-N-methyl-1-(2-methylcyclopentyl)methanamine
CID 107177277
3-(1-chloro-2-cyclopropylethyl)-1-benzothiophene
CID 63432700
2-cyclobutyl-1-(2-iodophenyl)-N-methylethanamine
CID 115863462
1-(1-benzothiophen-3-yl)-N-(cyclopropylmethyl)ethane-1,2-diamine
CID 65386100
4-(1-benzothiophen-3-yl)-4-(methylamino)butan-1-ol
CID 116953028

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-3-yl)-2-cyclobutyl-N-methylethanamine?
The IUPAC name of 1-(1-benzothiophen-3-yl)-2-cyclobutyl-N-methylethanamine (CID 115863679) is 1-(1-benzothiophen-3-yl)-2-cyclobutyl-N-methylethanamine.
What is the SMILES notation for 1-(1-benzothiophen-3-yl)-2-cyclobutyl-N-methylethanamine?
The canonical SMILES for 1-(1-benzothiophen-3-yl)-2-cyclobutyl-N-methylethanamine is CNC(CC1CCC1)c1csc2ccccc12.
What is the InChIKey of 1-(1-benzothiophen-3-yl)-2-cyclobutyl-N-methylethanamine?
The InChIKey is SHBCJJYETWYLKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NS/c1-16-14(9-11-5-4-6-11)13-10-17-15-8-3-2-7-12(13)15/h2-3,7-8,10-11,14,16H,4-6,9H2,1H3.
What are the key properties of 1-(1-benzothiophen-3-yl)-2-cyclobutyl-N-methylethanamine?
1-(1-benzothiophen-3-yl)-2-cyclobutyl-N-methylethanamine has a molecular weight of 245.39 g/mol, XLogP of 4.35, 4 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)-2-cyclobutyl-N-methylethanamine is sourced from PubChem (CID 115863679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).