2-(1-methylpyrrolo[3,2-b]pyridin-3-yl)ethanamine

C10H13N3 — CID 82598945

IUPAC2-(1-methylpyrrolo[3,2-b]pyridin-3-yl)ethanamine
SMILESCn1cc(CCN)c2ncccc21
InChIInChI=1S/C10H13N3/c1-13-7-8(4-5-11)10-9(13)3-2-6-12-10/h2-3,6-7H,4-5,11H2,1H3
InChIKeyWZMULTUDBPHXMU-UHFFFAOYSA-N
MW175.24 g/mol
LogP1.07
Rot. Bonds2

About 2-(1-methylpyrrolo[3,2-b]pyridin-3-yl)ethanamine

2-(1-methylpyrrolo[3,2-b]pyridin-3-yl)ethanamine (PubChem CID 82598945) has the molecular formula C10H13N3 and a molecular weight of 175.24 g/mol. Its IUPAC name is 2-(1-methylpyrrolo[3,2-b]pyridin-3-yl)ethanamine.

Molecular Properties

Compound Name2-(1-methylpyrrolo[3,2-b]pyridin-3-yl)ethanamine
PubChem CID82598945
Molecular FormulaC10H13N3
Molecular Weight175.24 g/mol
Exact Mass175.11
IUPAC Name2-(1-methylpyrrolo[3,2-b]pyridin-3-yl)ethanamine
SMILESCn1cc(CCN)c2ncccc21
InChIInChI=1S/C10H13N3/c1-13-7-8(4-5-11)10-9(13)3-2-6-12-10/h2-3,6-7H,4-5,11H2,1H3
InChIKeyWZMULTUDBPHXMU-UHFFFAOYSA-N
XLogP1.07
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.24
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrrolo[3,2-b]pyridin-3-yl)ethanamine?
The IUPAC name of 2-(1-methylpyrrolo[3,2-b]pyridin-3-yl)ethanamine (CID 82598945) is 2-(1-methylpyrrolo[3,2-b]pyridin-3-yl)ethanamine.
What is the SMILES notation for 2-(1-methylpyrrolo[3,2-b]pyridin-3-yl)ethanamine?
The canonical SMILES for 2-(1-methylpyrrolo[3,2-b]pyridin-3-yl)ethanamine is Cn1cc(CCN)c2ncccc21.
What is the InChIKey of 2-(1-methylpyrrolo[3,2-b]pyridin-3-yl)ethanamine?
The InChIKey is WZMULTUDBPHXMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3/c1-13-7-8(4-5-11)10-9(13)3-2-6-12-10/h2-3,6-7H,4-5,11H2,1H3.
What are the key properties of 2-(1-methylpyrrolo[3,2-b]pyridin-3-yl)ethanamine?
2-(1-methylpyrrolo[3,2-b]pyridin-3-yl)ethanamine has a molecular weight of 175.24 g/mol, XLogP of 1.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrrolo[3,2-b]pyridin-3-yl)ethanamine is sourced from PubChem (CID 82598945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).