2,3-dibutyl-N,N-dimethyl-1-benzothiophen-6-amine

C18H27NS — CID 102230900

IUPAC2,3-dibutyl-N,N-dimethyl-1-benzothiophen-6-amine
SMILESCCCCc1sc2cc(N(C)C)ccc2c1CCCC
InChIInChI=1S/C18H27NS/c1-5-7-9-15-16-12-11-14(19(3)4)13-18(16)20-17(15)10-8-6-2/h11-13H,5-10H2,1-4H3
InChIKeyDGGHMGRMFLAJFB-UHFFFAOYSA-N
MW289.49 g/mol
LogP5.65
Rot. Bonds7

About 2,3-dibutyl-N,N-dimethyl-1-benzothiophen-6-amine

2,3-dibutyl-N,N-dimethyl-1-benzothiophen-6-amine (PubChem CID 102230900) has the molecular formula C18H27NS and a molecular weight of 289.49 g/mol. Its IUPAC name is 2,3-dibutyl-N,N-dimethyl-1-benzothiophen-6-amine.

Molecular Properties

Compound Name2,3-dibutyl-N,N-dimethyl-1-benzothiophen-6-amine
PubChem CID102230900
Molecular FormulaC18H27NS
Molecular Weight289.49 g/mol
Exact Mass289.19
IUPAC Name2,3-dibutyl-N,N-dimethyl-1-benzothiophen-6-amine
SMILESCCCCc1sc2cc(N(C)C)ccc2c1CCCC
InChIInChI=1S/C18H27NS/c1-5-7-9-15-16-12-11-14(19(3)4)13-18(16)20-17(15)10-8-6-2/h11-13H,5-10H2,1-4H3
InChIKeyDGGHMGRMFLAJFB-UHFFFAOYSA-N
XLogP5.65
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.49
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-dibutyl-N,N-dimethyl-1-benzothiophen-6-amine?
The IUPAC name of 2,3-dibutyl-N,N-dimethyl-1-benzothiophen-6-amine (CID 102230900) is 2,3-dibutyl-N,N-dimethyl-1-benzothiophen-6-amine.
What is the SMILES notation for 2,3-dibutyl-N,N-dimethyl-1-benzothiophen-6-amine?
The canonical SMILES for 2,3-dibutyl-N,N-dimethyl-1-benzothiophen-6-amine is CCCCc1sc2cc(N(C)C)ccc2c1CCCC.
What is the InChIKey of 2,3-dibutyl-N,N-dimethyl-1-benzothiophen-6-amine?
The InChIKey is DGGHMGRMFLAJFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NS/c1-5-7-9-15-16-12-11-14(19(3)4)13-18(16)20-17(15)10-8-6-2/h11-13H,5-10H2,1-4H3.
What are the key properties of 2,3-dibutyl-N,N-dimethyl-1-benzothiophen-6-amine?
2,3-dibutyl-N,N-dimethyl-1-benzothiophen-6-amine has a molecular weight of 289.49 g/mol, XLogP of 5.65, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dibutyl-N,N-dimethyl-1-benzothiophen-6-amine is sourced from PubChem (CID 102230900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).