1-(1-benzothiophen-7-yl)-N-methylhexan-3-amine

C15H21NS — CID 81147767

IUPAC1-(1-benzothiophen-7-yl)-N-methylhexan-3-amine
SMILESCCCC(CCc1cccc2ccsc12)NC
InChIInChI=1S/C15H21NS/c1-3-5-14(16-2)9-8-12-6-4-7-13-10-11-17-15(12)13/h4,6-7,10-11,14,16H,3,5,8-9H2,1-2H3
InChIKeyFVCLBGDCIHATDG-UHFFFAOYSA-N
MW247.41 g/mol
LogP4.22
Rot. Bonds6

About 1-(1-benzothiophen-7-yl)-N-methylhexan-3-amine

1-(1-benzothiophen-7-yl)-N-methylhexan-3-amine (PubChem CID 81147767) has the molecular formula C15H21NS and a molecular weight of 247.41 g/mol. Its IUPAC name is 1-(1-benzothiophen-7-yl)-N-methylhexan-3-amine.

Molecular Properties

Compound Name1-(1-benzothiophen-7-yl)-N-methylhexan-3-amine
PubChem CID81147767
Molecular FormulaC15H21NS
Molecular Weight247.41 g/mol
Exact Mass247.14
IUPAC Name1-(1-benzothiophen-7-yl)-N-methylhexan-3-amine
SMILESCCCC(CCc1cccc2ccsc12)NC
InChIInChI=1S/C15H21NS/c1-3-5-14(16-2)9-8-12-6-4-7-13-10-11-17-15(12)13/h4,6-7,10-11,14,16H,3,5,8-9H2,1-2H3
InChIKeyFVCLBGDCIHATDG-UHFFFAOYSA-N
XLogP4.22
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 ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-benzothiophen-7-yl)-N-methylpentan-3-amine
CID 81148451
4-(1-benzothiophen-7-yl)-N-methylbutan-2-amine
CID 81147000
7-(3-chloropentyl)-1-benzothiophene
CID 81147007
1-(1-benzothiophen-7-yl)pentan-3-ol
CID 81147774
1-(1-benzothiophen-3-yl)-N-methylhexan-3-amine
CID 63737912
7-(3-chloropropyl)-1-benzothiophene
CID 81146584
7-(1-chlorobutyl)-1-benzothiophene
CID 126973958
1-(1-benzothiophen-7-yl)-N-methyloctan-1-amine
CID 105022083
N-[[2-(1-benzothiophen-7-yl)phenyl]methyl]propan-1-amine
CID 81153617
N-methyl-1-(2-methylphenyl)octan-3-amine
CID 105129664
ethane;7-methyl-1-benzothiophene
CID 143012583
N-methyl-1,5-diphenylpentan-3-amine
CID 10586995

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-7-yl)-N-methylhexan-3-amine?
The IUPAC name of 1-(1-benzothiophen-7-yl)-N-methylhexan-3-amine (CID 81147767) is 1-(1-benzothiophen-7-yl)-N-methylhexan-3-amine.
What is the SMILES notation for 1-(1-benzothiophen-7-yl)-N-methylhexan-3-amine?
The canonical SMILES for 1-(1-benzothiophen-7-yl)-N-methylhexan-3-amine is CCCC(CCc1cccc2ccsc12)NC.
What is the InChIKey of 1-(1-benzothiophen-7-yl)-N-methylhexan-3-amine?
The InChIKey is FVCLBGDCIHATDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NS/c1-3-5-14(16-2)9-8-12-6-4-7-13-10-11-17-15(12)13/h4,6-7,10-11,14,16H,3,5,8-9H2,1-2H3.
What are the key properties of 1-(1-benzothiophen-7-yl)-N-methylhexan-3-amine?
1-(1-benzothiophen-7-yl)-N-methylhexan-3-amine has a molecular weight of 247.41 g/mol, XLogP of 4.22, 6 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)-N-methylhexan-3-amine is sourced from PubChem (CID 81147767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).