2-(2-ethyl-1H-pyrrolo[3,2-c]pyridin-3-yl)-N,N-dimethylethanamine

C13H19N3 — CID 71463521

IUPAC2-(2-ethyl-1H-pyrrolo[3,2-c]pyridin-3-yl)-N,N-dimethylethanamine
SMILESCCc1[nH]c2ccncc2c1CCN(C)C
InChIInChI=1S/C13H19N3/c1-4-12-10(6-8-16(2)3)11-9-14-7-5-13(11)15-12/h5,7,9,15H,4,6,8H2,1-3H3
InChIKeySSAOUZNKJBUKRO-UHFFFAOYSA-N
MW217.32 g/mol
LogP2.23
Rot. Bonds4

About 2-(2-ethyl-1H-pyrrolo[3,2-c]pyridin-3-yl)-N,N-dimethylethanamine

2-(2-ethyl-1H-pyrrolo[3,2-c]pyridin-3-yl)-N,N-dimethylethanamine (PubChem CID 71463521) has the molecular formula C13H19N3 and a molecular weight of 217.32 g/mol. Its IUPAC name is 2-(2-ethyl-1H-pyrrolo[3,2-c]pyridin-3-yl)-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-(2-ethyl-1H-pyrrolo[3,2-c]pyridin-3-yl)-N,N-dimethylethanamine
PubChem CID71463521
Molecular FormulaC13H19N3
Molecular Weight217.32 g/mol
Exact Mass217.16
IUPAC Name2-(2-ethyl-1H-pyrrolo[3,2-c]pyridin-3-yl)-N,N-dimethylethanamine
SMILESCCc1[nH]c2ccncc2c1CCN(C)C
InChIInChI=1S/C13H19N3/c1-4-12-10(6-8-16(2)3)11-9-14-7-5-13(11)15-12/h5,7,9,15H,4,6,8H2,1-3H3
InChIKeySSAOUZNKJBUKRO-UHFFFAOYSA-N
XLogP2.23
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 ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-1H-pyrrolo[3,2-c]pyridin-3-yl)-N,N-dimethylethanamine?
The IUPAC name of 2-(2-ethyl-1H-pyrrolo[3,2-c]pyridin-3-yl)-N,N-dimethylethanamine (CID 71463521) is 2-(2-ethyl-1H-pyrrolo[3,2-c]pyridin-3-yl)-N,N-dimethylethanamine.
What is the SMILES notation for 2-(2-ethyl-1H-pyrrolo[3,2-c]pyridin-3-yl)-N,N-dimethylethanamine?
The canonical SMILES for 2-(2-ethyl-1H-pyrrolo[3,2-c]pyridin-3-yl)-N,N-dimethylethanamine is CCc1[nH]c2ccncc2c1CCN(C)C.
What is the InChIKey of 2-(2-ethyl-1H-pyrrolo[3,2-c]pyridin-3-yl)-N,N-dimethylethanamine?
The InChIKey is SSAOUZNKJBUKRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3/c1-4-12-10(6-8-16(2)3)11-9-14-7-5-13(11)15-12/h5,7,9,15H,4,6,8H2,1-3H3.
What are the key properties of 2-(2-ethyl-1H-pyrrolo[3,2-c]pyridin-3-yl)-N,N-dimethylethanamine?
2-(2-ethyl-1H-pyrrolo[3,2-c]pyridin-3-yl)-N,N-dimethylethanamine has a molecular weight of 217.32 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-1H-pyrrolo[3,2-c]pyridin-3-yl)-N,N-dimethylethanamine is sourced from PubChem (CID 71463521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).