N-ethyl-N-methyl-2-(4-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanamine

C13H19N3 — CID 168946663

IUPACN-ethyl-N-methyl-2-(4-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanamine
SMILESCCN(C)CCc1c[nH]c2nccc(C)c12
InChIInChI=1S/C13H19N3/c1-4-16(3)8-6-11-9-15-13-12(11)10(2)5-7-14-13/h5,7,9H,4,6,8H2,1-3H3,(H,14,15)
InChIKeyQSJNHCVZPISJHN-UHFFFAOYSA-N
MW217.32 g/mol
LogP2.37
Rot. Bonds4

About N-ethyl-N-methyl-2-(4-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanamine

N-ethyl-N-methyl-2-(4-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanamine (PubChem CID 168946663) has the molecular formula C13H19N3 and a molecular weight of 217.32 g/mol. Its IUPAC name is N-ethyl-N-methyl-2-(4-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanamine.

Molecular Properties

Compound NameN-ethyl-N-methyl-2-(4-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanamine
PubChem CID168946663
Molecular FormulaC13H19N3
Molecular Weight217.32 g/mol
Exact Mass217.16
IUPAC NameN-ethyl-N-methyl-2-(4-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanamine
SMILESCCN(C)CCc1c[nH]c2nccc(C)c12
InChIInChI=1S/C13H19N3/c1-4-16(3)8-6-11-9-15-13-12(11)10(2)5-7-14-13/h5,7,9H,4,6,8H2,1-3H3,(H,14,15)
InChIKeyQSJNHCVZPISJHN-UHFFFAOYSA-N
XLogP2.37
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.32
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-methyl-2-(4-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanamine?
The IUPAC name of N-ethyl-N-methyl-2-(4-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanamine (CID 168946663) is N-ethyl-N-methyl-2-(4-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanamine.
What is the SMILES notation for N-ethyl-N-methyl-2-(4-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanamine?
The canonical SMILES for N-ethyl-N-methyl-2-(4-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanamine is CCN(C)CCc1c[nH]c2nccc(C)c12.
What is the InChIKey of N-ethyl-N-methyl-2-(4-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanamine?
The InChIKey is QSJNHCVZPISJHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3/c1-4-16(3)8-6-11-9-15-13-12(11)10(2)5-7-14-13/h5,7,9H,4,6,8H2,1-3H3,(H,14,15).
What are the key properties of N-ethyl-N-methyl-2-(4-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanamine?
N-ethyl-N-methyl-2-(4-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanamine has a molecular weight of 217.32 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-methyl-2-(4-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanamine is sourced from PubChem (CID 168946663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).