2-(5,6-dihydropyrrolo[2,3-b]pyridin-1-yl)-N,N-dimethylethanamine

C11H17N3 — CID 89382550

IUPAC2-(5,6-dihydropyrrolo[2,3-b]pyridin-1-yl)-N,N-dimethylethanamine
SMILESCN(C)CCn1ccc2c1=NCCC=2
InChIInChI=1S/C11H17N3/c1-13(2)8-9-14-7-5-10-4-3-6-12-11(10)14/h4-5,7H,3,6,8-9H2,1-2H3
InChIKeyOXADKSPCHOQMNR-UHFFFAOYSA-N
MW191.28 g/mol
LogP-0.15
Rot. Bonds3

About 2-(5,6-dihydropyrrolo[2,3-b]pyridin-1-yl)-N,N-dimethylethanamine

2-(5,6-dihydropyrrolo[2,3-b]pyridin-1-yl)-N,N-dimethylethanamine (PubChem CID 89382550) has the molecular formula C11H17N3 and a molecular weight of 191.28 g/mol. Its IUPAC name is 2-(5,6-dihydropyrrolo[2,3-b]pyridin-1-yl)-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-(5,6-dihydropyrrolo[2,3-b]pyridin-1-yl)-N,N-dimethylethanamine
PubChem CID89382550
Molecular FormulaC11H17N3
Molecular Weight191.28 g/mol
Exact Mass191.14
IUPAC Name2-(5,6-dihydropyrrolo[2,3-b]pyridin-1-yl)-N,N-dimethylethanamine
SMILESCN(C)CCn1ccc2c1=NCCC=2
InChIInChI=1S/C11H17N3/c1-13(2)8-9-14-7-5-10-4-3-6-12-11(10)14/h4-5,7H,3,6,8-9H2,1-2H3
InChIKeyOXADKSPCHOQMNR-UHFFFAOYSA-N
XLogP-0.15
TPSA20.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 5-0.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dihydropyrrolo[2,3-b]pyridin-1-yl)-N,N-dimethylethanamine?
The IUPAC name of 2-(5,6-dihydropyrrolo[2,3-b]pyridin-1-yl)-N,N-dimethylethanamine (CID 89382550) is 2-(5,6-dihydropyrrolo[2,3-b]pyridin-1-yl)-N,N-dimethylethanamine.
What is the SMILES notation for 2-(5,6-dihydropyrrolo[2,3-b]pyridin-1-yl)-N,N-dimethylethanamine?
The canonical SMILES for 2-(5,6-dihydropyrrolo[2,3-b]pyridin-1-yl)-N,N-dimethylethanamine is CN(C)CCn1ccc2c1=NCCC=2.
What is the InChIKey of 2-(5,6-dihydropyrrolo[2,3-b]pyridin-1-yl)-N,N-dimethylethanamine?
The InChIKey is OXADKSPCHOQMNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3/c1-13(2)8-9-14-7-5-10-4-3-6-12-11(10)14/h4-5,7H,3,6,8-9H2,1-2H3.
What are the key properties of 2-(5,6-dihydropyrrolo[2,3-b]pyridin-1-yl)-N,N-dimethylethanamine?
2-(5,6-dihydropyrrolo[2,3-b]pyridin-1-yl)-N,N-dimethylethanamine has a molecular weight of 191.28 g/mol, XLogP of -0.15, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dihydropyrrolo[2,3-b]pyridin-1-yl)-N,N-dimethylethanamine is sourced from PubChem (CID 89382550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).