1-(1-benzothiophen-3-yl)-N,3,4,4-tetramethylpentan-1-amine

C17H25NS — CID 63833773

IUPAC1-(1-benzothiophen-3-yl)-N,3,4,4-tetramethylpentan-1-amine
SMILESCNC(CC(C)C(C)(C)C)c1csc2ccccc12
InChIInChI=1S/C17H25NS/c1-12(17(2,3)4)10-15(18-5)14-11-19-16-9-7-6-8-13(14)16/h6-9,11-12,15,18H,10H2,1-5H3
InChIKeyGOGNJSHENBPTRA-UHFFFAOYSA-N
MW275.46 g/mol
LogP5.23
Rot. Bonds4

About 1-(1-benzothiophen-3-yl)-N,3,4,4-tetramethylpentan-1-amine

1-(1-benzothiophen-3-yl)-N,3,4,4-tetramethylpentan-1-amine (PubChem CID 63833773) has the molecular formula C17H25NS and a molecular weight of 275.46 g/mol. Its IUPAC name is 1-(1-benzothiophen-3-yl)-N,3,4,4-tetramethylpentan-1-amine.

Molecular Properties

Compound Name1-(1-benzothiophen-3-yl)-N,3,4,4-tetramethylpentan-1-amine
PubChem CID63833773
Molecular FormulaC17H25NS
Molecular Weight275.46 g/mol
Exact Mass275.17
IUPAC Name1-(1-benzothiophen-3-yl)-N,3,4,4-tetramethylpentan-1-amine
SMILESCNC(CC(C)C(C)(C)C)c1csc2ccccc12
InChIInChI=1S/C17H25NS/c1-12(17(2,3)4)10-15(18-5)14-11-19-16-9-7-6-8-13(14)16/h6-9,11-12,15,18H,10H2,1-5H3
InChIKeyGOGNJSHENBPTRA-UHFFFAOYSA-N
XLogP5.23
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500275.46
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(1-benzothiophen-3-yl)-N,3,4,4-tetramethylpentan-1-amine with MolForge

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Related Compounds

1-(1-benzothiophen-3-yl)-3,4,4-trimethylpentan-1-amine
CID 63833767
3-(1-benzothiophen-3-yl)-3-(methylamino)propan-1-ol
CID 116952885
1-(1-benzothiophen-3-yl)-N-methylpropane-1,3-diamine
CID 116948479
4-(1-benzothiophen-3-yl)-4-(methylamino)butan-1-ol
CID 116953028
1-(1-benzothiophen-3-yl)-2-cyclobutyl-N-methylethanamine
CID 115863679
1-(1-benzothiophen-3-yl)-2-(3,5-dimethylphenyl)-N-methylethanamine
CID 115800455
1-(1-benzothiophen-3-yl)-2-(2,6-dichlorophenyl)-N-methylethanamine
CID 115830435
1-(1-benzothiophen-3-yl)-N-ethyl-3,5,5-trimethylhexan-1-amine
CID 43492293
1-(1-benzothiophen-3-yl)-2-cyclohexyl-N-methylethanamine
CID 43485761
1-(1-benzothiophen-3-yl)-N-methyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 105019355
1-(1-benzothiophen-3-yl)-2-(3-chlorophenyl)-N-methylethanamine
CID 63507542
1-(1-benzothiophen-3-yl)-3,3-dimethyl-N-propylbutan-1-amine
CID 43497197

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-3-yl)-N,3,4,4-tetramethylpentan-1-amine?
The IUPAC name of 1-(1-benzothiophen-3-yl)-N,3,4,4-tetramethylpentan-1-amine (CID 63833773) is 1-(1-benzothiophen-3-yl)-N,3,4,4-tetramethylpentan-1-amine.
What is the SMILES notation for 1-(1-benzothiophen-3-yl)-N,3,4,4-tetramethylpentan-1-amine?
The canonical SMILES for 1-(1-benzothiophen-3-yl)-N,3,4,4-tetramethylpentan-1-amine is CNC(CC(C)C(C)(C)C)c1csc2ccccc12.
What is the InChIKey of 1-(1-benzothiophen-3-yl)-N,3,4,4-tetramethylpentan-1-amine?
The InChIKey is GOGNJSHENBPTRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NS/c1-12(17(2,3)4)10-15(18-5)14-11-19-16-9-7-6-8-13(14)16/h6-9,11-12,15,18H,10H2,1-5H3.
What are the key properties of 1-(1-benzothiophen-3-yl)-N,3,4,4-tetramethylpentan-1-amine?
1-(1-benzothiophen-3-yl)-N,3,4,4-tetramethylpentan-1-amine has a molecular weight of 275.46 g/mol, XLogP of 5.23, 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)-N,3,4,4-tetramethylpentan-1-amine is sourced from PubChem (CID 63833773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).