N-[2-[8-[2-(dipropylamino)ethoxy]dibenzothiophen-2-yl]oxyethyl]-N-propylpropan-1-amine

C28H42N2O2S — CID 67163885

IUPACN-[2-[8-[2-(dipropylamino)ethoxy]dibenzothiophen-2-yl]oxyethyl]-N-propylpropan-1-amine
SMILESCCCN(CCC)CCOc1ccc2sc3ccc(OCCN(CCC)CCC)cc3c2c1
InChIInChI=1S/C28H42N2O2S/c1-5-13-29(14-6-2)17-19-31-23-9-11-27-25(21-23)26-22-24(10-12-28(26)33-27)32-20-18-30(15-7-3)16-8-4/h9-12,21-22H,5-8,13-20H2,1-4H3
InChIKeyQXNKEYMENXVZEQ-UHFFFAOYSA-N
MW470.72 g/mol
LogP7.06
Rot. Bonds16

About N-[2-[8-[2-(dipropylamino)ethoxy]dibenzothiophen-2-yl]oxyethyl]-N-propylpropan-1-amine

N-[2-[8-[2-(dipropylamino)ethoxy]dibenzothiophen-2-yl]oxyethyl]-N-propylpropan-1-amine (PubChem CID 67163885) has the molecular formula C28H42N2O2S and a molecular weight of 470.72 g/mol. Its IUPAC name is N-[2-[8-[2-(dipropylamino)ethoxy]dibenzothiophen-2-yl]oxyethyl]-N-propylpropan-1-amine.

Molecular Properties

Compound NameN-[2-[8-[2-(dipropylamino)ethoxy]dibenzothiophen-2-yl]oxyethyl]-N-propylpropan-1-amine
PubChem CID67163885
Molecular FormulaC28H42N2O2S
Molecular Weight470.72 g/mol
Exact Mass470.30
IUPAC NameN-[2-[8-[2-(dipropylamino)ethoxy]dibenzothiophen-2-yl]oxyethyl]-N-propylpropan-1-amine
SMILESCCCN(CCC)CCOc1ccc2sc3ccc(OCCN(CCC)CCC)cc3c2c1
InChIInChI=1S/C28H42N2O2S/c1-5-13-29(14-6-2)17-19-31-23-9-11-27-25(21-23)26-22-24(10-12-28(26)33-27)32-20-18-30(15-7-3)16-8-4/h9-12,21-22H,5-8,13-20H2,1-4H3
InChIKeyQXNKEYMENXVZEQ-UHFFFAOYSA-N
XLogP7.06
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.72
LogP ≤ 57.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[8-[2-(dipropylamino)ethoxy]dibenzothiophen-2-yl]oxyethyl]-N-propylpropan-1-amine?
The IUPAC name of N-[2-[8-[2-(dipropylamino)ethoxy]dibenzothiophen-2-yl]oxyethyl]-N-propylpropan-1-amine (CID 67163885) is N-[2-[8-[2-(dipropylamino)ethoxy]dibenzothiophen-2-yl]oxyethyl]-N-propylpropan-1-amine.
What is the SMILES notation for N-[2-[8-[2-(dipropylamino)ethoxy]dibenzothiophen-2-yl]oxyethyl]-N-propylpropan-1-amine?
The canonical SMILES for N-[2-[8-[2-(dipropylamino)ethoxy]dibenzothiophen-2-yl]oxyethyl]-N-propylpropan-1-amine is CCCN(CCC)CCOc1ccc2sc3ccc(OCCN(CCC)CCC)cc3c2c1.
What is the InChIKey of N-[2-[8-[2-(dipropylamino)ethoxy]dibenzothiophen-2-yl]oxyethyl]-N-propylpropan-1-amine?
The InChIKey is QXNKEYMENXVZEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H42N2O2S/c1-5-13-29(14-6-2)17-19-31-23-9-11-27-25(21-23)26-22-24(10-12-28(26)33-27)32-20-18-30(15-7-3)16-8-4/h9-12,21-22H,5-8,13-20H2,1-4H3.
What are the key properties of N-[2-[8-[2-(dipropylamino)ethoxy]dibenzothiophen-2-yl]oxyethyl]-N-propylpropan-1-amine?
N-[2-[8-[2-(dipropylamino)ethoxy]dibenzothiophen-2-yl]oxyethyl]-N-propylpropan-1-amine has a molecular weight of 470.72 g/mol, XLogP of 7.06, 16 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[8-[2-(dipropylamino)ethoxy]dibenzothiophen-2-yl]oxyethyl]-N-propylpropan-1-amine is sourced from PubChem (CID 67163885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).