1-(1-benzothiophen-2-yl)-N,2-dimethylpentan-1-amine

C15H21NS — CID 114013577

IUPAC1-(1-benzothiophen-2-yl)-N,2-dimethylpentan-1-amine
SMILESCCCC(C)C(NC)c1cc2ccccc2s1
InChIInChI=1S/C15H21NS/c1-4-7-11(2)15(16-3)14-10-12-8-5-6-9-13(12)17-14/h5-6,8-11,15-16H,4,7H2,1-3H3
InChIKeyYNZSZAQDMXOAFV-UHFFFAOYSA-N
MW247.41 g/mol
LogP4.60
Rot. Bonds5

About 1-(1-benzothiophen-2-yl)-N,2-dimethylpentan-1-amine

1-(1-benzothiophen-2-yl)-N,2-dimethylpentan-1-amine (PubChem CID 114013577) has the molecular formula C15H21NS and a molecular weight of 247.41 g/mol. Its IUPAC name is 1-(1-benzothiophen-2-yl)-N,2-dimethylpentan-1-amine.

Molecular Properties

Compound Name1-(1-benzothiophen-2-yl)-N,2-dimethylpentan-1-amine
PubChem CID114013577
Molecular FormulaC15H21NS
Molecular Weight247.41 g/mol
Exact Mass247.14
IUPAC Name1-(1-benzothiophen-2-yl)-N,2-dimethylpentan-1-amine
SMILESCCCC(C)C(NC)c1cc2ccccc2s1
InChIInChI=1S/C15H21NS/c1-4-7-11(2)15(16-3)14-10-12-8-5-6-9-13(12)17-14/h5-6,8-11,15-16H,4,7H2,1-3H3
InChIKeyYNZSZAQDMXOAFV-UHFFFAOYSA-N
XLogP4.60
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.41
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-benzothiophen-2-yl)-N-propylbutan-1-amine
CID 115778262
N,2-dimethyl-1-naphthalen-2-ylpentan-1-amine
CID 115850950
1-(1-benzothiophen-2-yl)nonan-1-ol
CID 115784008
1-(5-fluoro-1-benzothiophen-2-yl)-2-methyl-N-propylpentan-1-amine
CID 107893741
(1R)-1-(1-benzothiophen-2-yl)propan-1-ol
CID 171099380
N-[1-(1-benzothiophen-2-yl)ethyl]butan-2-amine
CID 115718240
1-(1-benzothiophen-2-yl)-3-methylbutan-1-ol
CID 114976256
1-(1-benzothiophen-2-yl)-N,2,2-trimethylpropan-1-amine
CID 115854470
1-(1-benzothiophen-2-yl)-2-methoxy-N-methylethanamine
CID 105009029
1-(1-benzothiophen-2-yl)-N-propylpropan-1-amine
CID 114980128
1-(1-benzothiophen-2-yl)ethanamine
CID 3904659
2-(3-methylbutan-2-yl)-1-benzothiophene
CID 147738757

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-2-yl)-N,2-dimethylpentan-1-amine?
The IUPAC name of 1-(1-benzothiophen-2-yl)-N,2-dimethylpentan-1-amine (CID 114013577) is 1-(1-benzothiophen-2-yl)-N,2-dimethylpentan-1-amine.
What is the SMILES notation for 1-(1-benzothiophen-2-yl)-N,2-dimethylpentan-1-amine?
The canonical SMILES for 1-(1-benzothiophen-2-yl)-N,2-dimethylpentan-1-amine is CCCC(C)C(NC)c1cc2ccccc2s1.
What is the InChIKey of 1-(1-benzothiophen-2-yl)-N,2-dimethylpentan-1-amine?
The InChIKey is YNZSZAQDMXOAFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NS/c1-4-7-11(2)15(16-3)14-10-12-8-5-6-9-13(12)17-14/h5-6,8-11,15-16H,4,7H2,1-3H3.
What are the key properties of 1-(1-benzothiophen-2-yl)-N,2-dimethylpentan-1-amine?
1-(1-benzothiophen-2-yl)-N,2-dimethylpentan-1-amine has a molecular weight of 247.41 g/mol, XLogP of 4.60, 5 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,2-dimethylpentan-1-amine is sourced from PubChem (CID 114013577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).