N-methyl-2-pyrrolo[3,2-b]pyridin-1-ylethanamine

C10H13N3 — CID 58970231

IUPACN-methyl-2-pyrrolo[3,2-b]pyridin-1-ylethanamine
SMILESCNCCn1ccc2ncccc21
InChIInChI=1S/C10H13N3/c1-11-6-8-13-7-4-9-10(13)3-2-5-12-9/h2-5,7,11H,6,8H2,1H3
InChIKeyLPGVWNZTFYBYHY-UHFFFAOYSA-N
MW175.23 g/mol
LogP1.26
Rot. Bonds3

About N-methyl-2-pyrrolo[3,2-b]pyridin-1-ylethanamine

N-methyl-2-pyrrolo[3,2-b]pyridin-1-ylethanamine (PubChem CID 58970231) has the molecular formula C10H13N3 and a molecular weight of 175.23 g/mol. Its IUPAC name is N-methyl-2-pyrrolo[3,2-b]pyridin-1-ylethanamine.

Molecular Properties

Compound NameN-methyl-2-pyrrolo[3,2-b]pyridin-1-ylethanamine
PubChem CID58970231
Molecular FormulaC10H13N3
Molecular Weight175.23 g/mol
Exact Mass175.11
IUPAC NameN-methyl-2-pyrrolo[3,2-b]pyridin-1-ylethanamine
SMILESCNCCn1ccc2ncccc21
InChIInChI=1S/C10H13N3/c1-11-6-8-13-7-4-9-10(13)3-2-5-12-9/h2-5,7,11H,6,8H2,1H3
InChIKeyLPGVWNZTFYBYHY-UHFFFAOYSA-N
XLogP1.26
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-pyrrolo[3,2-b]pyridin-1-ylethanamine?
The IUPAC name of N-methyl-2-pyrrolo[3,2-b]pyridin-1-ylethanamine (CID 58970231) is N-methyl-2-pyrrolo[3,2-b]pyridin-1-ylethanamine.
What is the SMILES notation for N-methyl-2-pyrrolo[3,2-b]pyridin-1-ylethanamine?
The canonical SMILES for N-methyl-2-pyrrolo[3,2-b]pyridin-1-ylethanamine is CNCCn1ccc2ncccc21.
What is the InChIKey of N-methyl-2-pyrrolo[3,2-b]pyridin-1-ylethanamine?
The InChIKey is LPGVWNZTFYBYHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3/c1-11-6-8-13-7-4-9-10(13)3-2-5-12-9/h2-5,7,11H,6,8H2,1H3.
What are the key properties of N-methyl-2-pyrrolo[3,2-b]pyridin-1-ylethanamine?
N-methyl-2-pyrrolo[3,2-b]pyridin-1-ylethanamine has a molecular weight of 175.23 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-pyrrolo[3,2-b]pyridin-1-ylethanamine is sourced from PubChem (CID 58970231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).