1-(1-benzothiophen-2-yl)-N-propylbutan-1-amine

C15H21NS — CID 115778262

IUPAC1-(1-benzothiophen-2-yl)-N-propylbutan-1-amine
SMILESCCCNC(CCC)c1cc2ccccc2s1
InChIInChI=1S/C15H21NS/c1-3-7-13(16-10-4-2)15-11-12-8-5-6-9-14(12)17-15/h5-6,8-9,11,13,16H,3-4,7,10H2,1-2H3
InChIKeyZVGWMEGMMAUPAD-UHFFFAOYSA-N
MW247.41 g/mol
LogP4.74
Rot. Bonds6

About 1-(1-benzothiophen-2-yl)-N-propylbutan-1-amine

1-(1-benzothiophen-2-yl)-N-propylbutan-1-amine (PubChem CID 115778262) has the molecular formula C15H21NS and a molecular weight of 247.41 g/mol. Its IUPAC name is 1-(1-benzothiophen-2-yl)-N-propylbutan-1-amine.

Molecular Properties

Compound Name1-(1-benzothiophen-2-yl)-N-propylbutan-1-amine
PubChem CID115778262
Molecular FormulaC15H21NS
Molecular Weight247.41 g/mol
Exact Mass247.14
IUPAC Name1-(1-benzothiophen-2-yl)-N-propylbutan-1-amine
SMILESCCCNC(CCC)c1cc2ccccc2s1
InChIInChI=1S/C15H21NS/c1-3-7-13(16-10-4-2)15-11-12-8-5-6-9-14(12)17-15/h5-6,8-9,11,13,16H,3-4,7,10H2,1-2H3
InChIKeyZVGWMEGMMAUPAD-UHFFFAOYSA-N
XLogP4.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.41
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-benzothiophen-2-yl)-N-propylpropan-1-amine
CID 114980128
1-(1-benzothiophen-2-yl)-N-ethylnonan-1-amine
CID 115835557
N-[1-(1-benzothiophen-2-yl)-2-(3-bromothiophen-2-yl)ethyl]propan-1-amine
CID 115849242
1-(1-benzothiophen-2-yl)-N-propylprop-2-en-1-amine
CID 105001090
N-[1-(1-benzothiophen-2-yl)-2-(1-methyltriazol-4-yl)ethyl]propan-1-amine
CID 107064472
N-[1-benzothiophen-2-yl(cycloheptyl)methyl]propan-1-amine
CID 105027903
1-(1-benzothiophen-2-yl)-N,2-dimethylpentan-1-amine
CID 114013577
4,4,4-trifluoro-1-(6-fluoro-1-benzothiophen-2-yl)-N-propylbutan-1-amine
CID 104992759
1-(5-bromo-4-methylthiophen-2-yl)-N-propylbutan-1-amine
CID 79991988
1-(5-ethylthiophen-2-yl)-N-propylbutan-1-amine
CID 43494311
1-(1-benzothiophen-2-yl)nonan-1-ol
CID 115784008
1-(1-benzothiophen-2-yl)-2-methoxy-N-methylethanamine
CID 105009029

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-2-yl)-N-propylbutan-1-amine?
The IUPAC name of 1-(1-benzothiophen-2-yl)-N-propylbutan-1-amine (CID 115778262) is 1-(1-benzothiophen-2-yl)-N-propylbutan-1-amine.
What is the SMILES notation for 1-(1-benzothiophen-2-yl)-N-propylbutan-1-amine?
The canonical SMILES for 1-(1-benzothiophen-2-yl)-N-propylbutan-1-amine is CCCNC(CCC)c1cc2ccccc2s1.
What is the InChIKey of 1-(1-benzothiophen-2-yl)-N-propylbutan-1-amine?
The InChIKey is ZVGWMEGMMAUPAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NS/c1-3-7-13(16-10-4-2)15-11-12-8-5-6-9-14(12)17-15/h5-6,8-9,11,13,16H,3-4,7,10H2,1-2H3.
What are the key properties of 1-(1-benzothiophen-2-yl)-N-propylbutan-1-amine?
1-(1-benzothiophen-2-yl)-N-propylbutan-1-amine has a molecular weight of 247.41 g/mol, XLogP of 4.74, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-2-yl)-N-propylbutan-1-amine is sourced from PubChem (CID 115778262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).