ethane;2-(5-methoxypyrrolo[3,2-b]pyridin-1-yl)-N-methylethanamine

C13H21N3O — CID 162389171

IUPACethane;2-(5-methoxypyrrolo[3,2-b]pyridin-1-yl)-N-methylethanamine
SMILESCC.CNCCn1ccc2nc(OC)ccc21
InChIInChI=1S/C11H15N3O.C2H6/c1-12-6-8-14-7-5-9-10(14)3-4-11(13-9)15-2;1-2/h3-5,7,12H,6,8H2,1-2H3;1-2H3
InChIKeyVOENBXDYSUOLCL-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.29
Rot. Bonds4

About ethane;2-(5-methoxypyrrolo[3,2-b]pyridin-1-yl)-N-methylethanamine

ethane;2-(5-methoxypyrrolo[3,2-b]pyridin-1-yl)-N-methylethanamine (PubChem CID 162389171) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is ethane;2-(5-methoxypyrrolo[3,2-b]pyridin-1-yl)-N-methylethanamine.

Molecular Properties

Compound Nameethane;2-(5-methoxypyrrolo[3,2-b]pyridin-1-yl)-N-methylethanamine
PubChem CID162389171
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Nameethane;2-(5-methoxypyrrolo[3,2-b]pyridin-1-yl)-N-methylethanamine
SMILESCC.CNCCn1ccc2nc(OC)ccc21
InChIInChI=1S/C11H15N3O.C2H6/c1-12-6-8-14-7-5-9-10(14)3-4-11(13-9)15-2;1-2/h3-5,7,12H,6,8H2,1-2H3;1-2H3
InChIKeyVOENBXDYSUOLCL-UHFFFAOYSA-N
XLogP2.29
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethane;2-(5-methoxypyrrolo[3,2-b]pyridin-1-yl)-N-methylethanamine?
The IUPAC name of ethane;2-(5-methoxypyrrolo[3,2-b]pyridin-1-yl)-N-methylethanamine (CID 162389171) is ethane;2-(5-methoxypyrrolo[3,2-b]pyridin-1-yl)-N-methylethanamine.
What is the SMILES notation for ethane;2-(5-methoxypyrrolo[3,2-b]pyridin-1-yl)-N-methylethanamine?
The canonical SMILES for ethane;2-(5-methoxypyrrolo[3,2-b]pyridin-1-yl)-N-methylethanamine is CC.CNCCn1ccc2nc(OC)ccc21.
What is the InChIKey of ethane;2-(5-methoxypyrrolo[3,2-b]pyridin-1-yl)-N-methylethanamine?
The InChIKey is VOENBXDYSUOLCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O.C2H6/c1-12-6-8-14-7-5-9-10(14)3-4-11(13-9)15-2;1-2/h3-5,7,12H,6,8H2,1-2H3;1-2H3.
What are the key properties of ethane;2-(5-methoxypyrrolo[3,2-b]pyridin-1-yl)-N-methylethanamine?
ethane;2-(5-methoxypyrrolo[3,2-b]pyridin-1-yl)-N-methylethanamine has a molecular weight of 235.33 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(5-methoxypyrrolo[3,2-b]pyridin-1-yl)-N-methylethanamine is sourced from PubChem (CID 162389171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).