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

C15H21NS — CID 63737912

IUPAC1-(1-benzothiophen-3-yl)-N-methylhexan-3-amine
SMILESCCCC(CCc1csc2ccccc12)NC
InChIInChI=1S/C15H21NS/c1-3-6-13(16-2)10-9-12-11-17-15-8-5-4-7-14(12)15/h4-5,7-8,11,13,16H,3,6,9-10H2,1-2H3
InChIKeyRQMZGYANLSEECL-UHFFFAOYSA-N
MW247.41 g/mol
LogP4.22
Rot. Bonds6

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

1-(1-benzothiophen-3-yl)-N-methylhexan-3-amine (PubChem CID 63737912) has the molecular formula C15H21NS and a molecular weight of 247.41 g/mol. Its IUPAC name is 1-(1-benzothiophen-3-yl)-N-methylhexan-3-amine.

Molecular Properties

Compound Name1-(1-benzothiophen-3-yl)-N-methylhexan-3-amine
PubChem CID63737912
Molecular FormulaC15H21NS
Molecular Weight247.41 g/mol
Exact Mass247.14
IUPAC Name1-(1-benzothiophen-3-yl)-N-methylhexan-3-amine
SMILESCCCC(CCc1csc2ccccc12)NC
InChIInChI=1S/C15H21NS/c1-3-6-13(16-2)10-9-12-11-17-15-8-5-4-7-14(12)15/h4-5,7-8,11,13,16H,3,6,9-10H2,1-2H3
InChIKeyRQMZGYANLSEECL-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-3-yl)-N-methylbutan-2-amine
CID 63738839
N-(1-benzothiophen-3-ylmethyl)hexan-3-amine
CID 62698113
3-(4-bromoheptyl)-1-benzothiophene
CID 64507607
1-(1-benzothiophen-3-yl)-N-methyl-3-propylhexan-2-amine
CID 115823570
1-(1-benzothiophen-3-yl)-N-methyl-3-methylsulfanylpropan-2-amine
CID 63736738
1-(1-benzothiophen-3-yl)-N-ethyl-4-methylpentan-3-amine
CID 63738446
N-(1-benzothiophen-3-ylmethyl)pentan-2-amine
CID 60704533
4-(1-benzothiophen-3-yl)-N-methyl-2-phenylbutan-1-amine
CID 81028431
1-(1-benzothiophen-3-yl)-N,4,4-trimethylpentan-2-amine
CID 63889811
5-(1-benzothiophen-3-yl)-N-propylpentan-2-amine
CID 64503792
5-(1-benzothiophen-3-yl)-3-methylpentan-1-amine
CID 65300535
1-(1-benzothiophen-3-yl)-3-propylhexan-2-one
CID 114965645

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-3-yl)-N-methylhexan-3-amine?
The IUPAC name of 1-(1-benzothiophen-3-yl)-N-methylhexan-3-amine (CID 63737912) is 1-(1-benzothiophen-3-yl)-N-methylhexan-3-amine.
What is the SMILES notation for 1-(1-benzothiophen-3-yl)-N-methylhexan-3-amine?
The canonical SMILES for 1-(1-benzothiophen-3-yl)-N-methylhexan-3-amine is CCCC(CCc1csc2ccccc12)NC.
What is the InChIKey of 1-(1-benzothiophen-3-yl)-N-methylhexan-3-amine?
The InChIKey is RQMZGYANLSEECL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NS/c1-3-6-13(16-2)10-9-12-11-17-15-8-5-4-7-14(12)15/h4-5,7-8,11,13,16H,3,6,9-10H2,1-2H3.
What are the key properties of 1-(1-benzothiophen-3-yl)-N-methylhexan-3-amine?
1-(1-benzothiophen-3-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-3-yl)-N-methylhexan-3-amine is sourced from PubChem (CID 63737912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).