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

C14H19NS — CID 81148451

IUPAC1-(1-benzothiophen-7-yl)-N-methylpentan-3-amine
SMILESCCC(CCc1cccc2ccsc12)NC
InChIInChI=1S/C14H19NS/c1-3-13(15-2)8-7-11-5-4-6-12-9-10-16-14(11)12/h4-6,9-10,13,15H,3,7-8H2,1-2H3
InChIKeyUCVOXPXTYGPSAJ-UHFFFAOYSA-N
MW233.38 g/mol
LogP3.83
Rot. Bonds5

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

1-(1-benzothiophen-7-yl)-N-methylpentan-3-amine (PubChem CID 81148451) has the molecular formula C14H19NS and a molecular weight of 233.38 g/mol. Its IUPAC name is 1-(1-benzothiophen-7-yl)-N-methylpentan-3-amine.

Molecular Properties

Compound Name1-(1-benzothiophen-7-yl)-N-methylpentan-3-amine
PubChem CID81148451
Molecular FormulaC14H19NS
Molecular Weight233.38 g/mol
Exact Mass233.12
IUPAC Name1-(1-benzothiophen-7-yl)-N-methylpentan-3-amine
SMILESCCC(CCc1cccc2ccsc12)NC
InChIInChI=1S/C14H19NS/c1-3-13(15-2)8-7-11-5-4-6-12-9-10-16-14(11)12/h4-6,9-10,13,15H,3,7-8H2,1-2H3
InChIKeyUCVOXPXTYGPSAJ-UHFFFAOYSA-N
XLogP3.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.38
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-benzothiophen-7-yl)-N-methylhexan-3-amine
CID 81147767
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
7-(3-chloropropyl)-1-benzothiophene
CID 81146584
7-(bromomethyl)-1-benzothiophene
CID 10751761
1-(1-benzothiophen-7-yl)-N-methyloctan-1-amine
CID 105022083
N-methyl-1-(2-propoxyphenyl)pentan-3-amine
CID 104662744
ethane;7-methyl-1-benzothiophene
CID 143012583
4-[2-[2-(1-benzothiophen-7-yl)ethoxy]ethyl-methylamino]butan-2-ol
CID 71187935
N-methyl-1-quinolin-6-ylpentan-3-amine
CID 81221541
N-(1-benzothiophen-7-ylmethyl)-1-phenylmethanamine
CID 131228188

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-7-yl)-N-methylpentan-3-amine?
The IUPAC name of 1-(1-benzothiophen-7-yl)-N-methylpentan-3-amine (CID 81148451) is 1-(1-benzothiophen-7-yl)-N-methylpentan-3-amine.
What is the SMILES notation for 1-(1-benzothiophen-7-yl)-N-methylpentan-3-amine?
The canonical SMILES for 1-(1-benzothiophen-7-yl)-N-methylpentan-3-amine is CCC(CCc1cccc2ccsc12)NC.
What is the InChIKey of 1-(1-benzothiophen-7-yl)-N-methylpentan-3-amine?
The InChIKey is UCVOXPXTYGPSAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NS/c1-3-13(15-2)8-7-11-5-4-6-12-9-10-16-14(11)12/h4-6,9-10,13,15H,3,7-8H2,1-2H3.
What are the key properties of 1-(1-benzothiophen-7-yl)-N-methylpentan-3-amine?
1-(1-benzothiophen-7-yl)-N-methylpentan-3-amine has a molecular weight of 233.38 g/mol, XLogP of 3.83, 5 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-methylpentan-3-amine is sourced from PubChem (CID 81148451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).