1-(1-benzothiophen-7-yl)-2,2-dimethyl-N-propylpropan-1-amine

C16H23NS — CID 81153078

IUPAC1-(1-benzothiophen-7-yl)-2,2-dimethyl-N-propylpropan-1-amine
SMILESCCCNC(c1cccc2ccsc12)C(C)(C)C
InChIInChI=1S/C16H23NS/c1-5-10-17-15(16(2,3)4)13-8-6-7-12-9-11-18-14(12)13/h6-9,11,15,17H,5,10H2,1-4H3
InChIKeyAJARTAMGNGOAIH-UHFFFAOYSA-N
MW261.43 g/mol
LogP4.99
Rot. Bonds4

About 1-(1-benzothiophen-7-yl)-2,2-dimethyl-N-propylpropan-1-amine

1-(1-benzothiophen-7-yl)-2,2-dimethyl-N-propylpropan-1-amine (PubChem CID 81153078) has the molecular formula C16H23NS and a molecular weight of 261.43 g/mol. Its IUPAC name is 1-(1-benzothiophen-7-yl)-2,2-dimethyl-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-(1-benzothiophen-7-yl)-2,2-dimethyl-N-propylpropan-1-amine
PubChem CID81153078
Molecular FormulaC16H23NS
Molecular Weight261.43 g/mol
Exact Mass261.16
IUPAC Name1-(1-benzothiophen-7-yl)-2,2-dimethyl-N-propylpropan-1-amine
SMILESCCCNC(c1cccc2ccsc12)C(C)(C)C
InChIInChI=1S/C16H23NS/c1-5-10-17-15(16(2,3)4)13-8-6-7-12-9-11-18-14(12)13/h6-9,11,15,17H,5,10H2,1-4H3
InChIKeyAJARTAMGNGOAIH-UHFFFAOYSA-N
XLogP4.99
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.43
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(1-benzothiophen-7-yl)-2-methylsulfanylethyl]propan-1-amine
CID 81153084
1-(1-benzothiophen-7-yl)-N-propylpentan-1-amine
CID 81153216
1-(1-benzothiophen-7-yl)-N-propylheptan-1-amine
CID 105021936
N-[1-benzothiophen-7-yl-(2-methyl-3-pyridinyl)methyl]propan-1-amine
CID 105172803
N-[1-benzothiophen-7-yl(cyclohexyl)methyl]propan-1-amine
CID 81154118
N-[1-benzothiophen-7-yl-(5-ethylfuran-2-yl)methyl]propan-1-amine
CID 105021891
1-(1-benzothiophen-7-yl)-1-N-ethyl-2-N,2-N,2-trimethylbutane-1,2-diamine
CID 81154263
1-(1-benzothiophen-7-yl)-2-ethoxy-N-propylpentan-1-amine
CID 116718196
N-[1-benzothiophen-7-yl-(2-methyloxolan-2-yl)methyl]propan-1-amine
CID 81153718
7-(1-chlorobutyl)-1-benzothiophene
CID 126973958
N-[1-benzothiophen-7-yl-(3-methyloxolan-2-yl)methyl]propan-1-amine
CID 105021865
1-(1-benzothiophen-7-yl)-2-(tert-butylamino)ethanol
CID 81146470

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-7-yl)-2,2-dimethyl-N-propylpropan-1-amine?
The IUPAC name of 1-(1-benzothiophen-7-yl)-2,2-dimethyl-N-propylpropan-1-amine (CID 81153078) is 1-(1-benzothiophen-7-yl)-2,2-dimethyl-N-propylpropan-1-amine.
What is the SMILES notation for 1-(1-benzothiophen-7-yl)-2,2-dimethyl-N-propylpropan-1-amine?
The canonical SMILES for 1-(1-benzothiophen-7-yl)-2,2-dimethyl-N-propylpropan-1-amine is CCCNC(c1cccc2ccsc12)C(C)(C)C.
What is the InChIKey of 1-(1-benzothiophen-7-yl)-2,2-dimethyl-N-propylpropan-1-amine?
The InChIKey is AJARTAMGNGOAIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NS/c1-5-10-17-15(16(2,3)4)13-8-6-7-12-9-11-18-14(12)13/h6-9,11,15,17H,5,10H2,1-4H3.
What are the key properties of 1-(1-benzothiophen-7-yl)-2,2-dimethyl-N-propylpropan-1-amine?
1-(1-benzothiophen-7-yl)-2,2-dimethyl-N-propylpropan-1-amine has a molecular weight of 261.43 g/mol, XLogP of 4.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-7-yl)-2,2-dimethyl-N-propylpropan-1-amine is sourced from PubChem (CID 81153078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).