3-(1-benzothiophen-3-yl)-N,3-dimethylbutan-1-amine

C14H19NS — CID 79830281

IUPAC3-(1-benzothiophen-3-yl)-N,3-dimethylbutan-1-amine
SMILESCNCCC(C)(C)c1csc2ccccc12
InChIInChI=1S/C14H19NS/c1-14(2,8-9-15-3)12-10-16-13-7-5-4-6-11(12)13/h4-7,10,15H,8-9H2,1-3H3
InChIKeyGMXWFDQTGHJKAB-UHFFFAOYSA-N
MW233.38 g/mol
LogP3.79
Rot. Bonds4

About 3-(1-benzothiophen-3-yl)-N,3-dimethylbutan-1-amine

3-(1-benzothiophen-3-yl)-N,3-dimethylbutan-1-amine (PubChem CID 79830281) has the molecular formula C14H19NS and a molecular weight of 233.38 g/mol. Its IUPAC name is 3-(1-benzothiophen-3-yl)-N,3-dimethylbutan-1-amine.

Molecular Properties

Compound Name3-(1-benzothiophen-3-yl)-N,3-dimethylbutan-1-amine
PubChem CID79830281
Molecular FormulaC14H19NS
Molecular Weight233.38 g/mol
Exact Mass233.12
IUPAC Name3-(1-benzothiophen-3-yl)-N,3-dimethylbutan-1-amine
SMILESCNCCC(C)(C)c1csc2ccccc12
InChIInChI=1S/C14H19NS/c1-14(2,8-9-15-3)12-10-16-13-7-5-4-6-11(12)13/h4-7,10,15H,8-9H2,1-3H3
InChIKeyGMXWFDQTGHJKAB-UHFFFAOYSA-N
XLogP3.79
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.38
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-iodopentan-2-yl)-1-benzothiophene
CID 146406254
3-(1,1-difluoroethyl)-1-benzothiophene;ethane
CID 154677348
N-(bromomethyl)-1-benzothiophen-3-amine
CID 115261633
N'-(1-benzothiophen-3-yl)-N,N'-dimethylmethanediamine
CID 115226761
3-(1,1,2,2,2-pentafluoroethyl)-1-benzothiophene
CID 102259233
2-(1-benzothiophen-3-yl)-2,2-difluoroethanol
CID 67815156
3-(1,1-difluoro-2-methylpropyl)-1-benzothiophene
CID 116841490
1-(1-benzothiophen-3-yl)-N-[(2-methylpropan-2-yl)oxy]methanamine
CID 82719584
3-(2,3-dichlorophenyl)-N,3-dimethylbutan-1-amine
CID 81022420
1-(1-benzothiophen-3-yl)-N,3,4,4-tetramethylpentan-1-amine
CID 63833773
N-(2-piperidin-4-ylethyl)-1-benzothiophen-3-amine
CID 115211557
4-(1-benzothiophen-3-yl)-4,4-difluoro-2,2-dimethylbutanoic acid
CID 65297334

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzothiophen-3-yl)-N,3-dimethylbutan-1-amine?
The IUPAC name of 3-(1-benzothiophen-3-yl)-N,3-dimethylbutan-1-amine (CID 79830281) is 3-(1-benzothiophen-3-yl)-N,3-dimethylbutan-1-amine.
What is the SMILES notation for 3-(1-benzothiophen-3-yl)-N,3-dimethylbutan-1-amine?
The canonical SMILES for 3-(1-benzothiophen-3-yl)-N,3-dimethylbutan-1-amine is CNCCC(C)(C)c1csc2ccccc12.
What is the InChIKey of 3-(1-benzothiophen-3-yl)-N,3-dimethylbutan-1-amine?
The InChIKey is GMXWFDQTGHJKAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NS/c1-14(2,8-9-15-3)12-10-16-13-7-5-4-6-11(12)13/h4-7,10,15H,8-9H2,1-3H3.
What are the key properties of 3-(1-benzothiophen-3-yl)-N,3-dimethylbutan-1-amine?
3-(1-benzothiophen-3-yl)-N,3-dimethylbutan-1-amine has a molecular weight of 233.38 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzothiophen-3-yl)-N,3-dimethylbutan-1-amine is sourced from PubChem (CID 79830281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).