1-(3-ethyl-1-methylpyrrolo[3,2-b]pyridin-2-yl)-N-methylmethanimine

C12H15N3 — CID 148771611

IUPAC1-(3-ethyl-1-methylpyrrolo[3,2-b]pyridin-2-yl)-N-methylmethanimine
SMILESCCc1c(/C=N/C)n(C)c2cccnc12
InChIInChI=1S/C12H15N3/c1-4-9-11(8-13-2)15(3)10-6-5-7-14-12(9)10/h5-8H,4H2,1-3H3/b13-8+
InChIKeyOINFESAHDUEIOS-MDWZMJQESA-N
MW201.27 g/mol
LogP2.18
Rot. Bonds2

About 1-(3-ethyl-1-methylpyrrolo[3,2-b]pyridin-2-yl)-N-methylmethanimine

1-(3-ethyl-1-methylpyrrolo[3,2-b]pyridin-2-yl)-N-methylmethanimine (PubChem CID 148771611) has the molecular formula C12H15N3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 1-(3-ethyl-1-methylpyrrolo[3,2-b]pyridin-2-yl)-N-methylmethanimine.

Molecular Properties

Compound Name1-(3-ethyl-1-methylpyrrolo[3,2-b]pyridin-2-yl)-N-methylmethanimine
PubChem CID148771611
Molecular FormulaC12H15N3
Molecular Weight201.27 g/mol
Exact Mass201.13
IUPAC Name1-(3-ethyl-1-methylpyrrolo[3,2-b]pyridin-2-yl)-N-methylmethanimine
SMILESCCc1c(/C=N/C)n(C)c2cccnc12
InChIInChI=1S/C12H15N3/c1-4-9-11(8-13-2)15(3)10-6-5-7-14-12(9)10/h5-8H,4H2,1-3H3/b13-8+
InChIKeyOINFESAHDUEIOS-MDWZMJQESA-N
XLogP2.18
TPSA30.18 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-(2-cyclopropyl-1-methylpyrrolo[3,2-b]pyridin-3-yl)acetic acid
CID 84693471
3-ethyl-1,2-dimethylimidazo[4,5-b]pyridin-3-ium
CID 158502094
1-(3-ethenyl-2-pyridinyl)-N-methylmethanimine;propane
CID 178116820
5-methyl-8-(2-methylbutan-2-yl)pyrido[3,2-b]indole
CID 67988473
2-ethyl-3-methyl-1-[(2Z)-2-(quinolin-8-ylmethylidene)hydrazinyl]pyrido[1,2-a]benzimidazole-4-carbonitrile
CID 6220193
1-[2-(cyclopropylamino)ethyl]-3-ethylpyrrolo[3,2-b]pyridine-2-carboxylic acid
CID 175435103
5-ethyl-9-methylpyrido[3,2-b]indole
CID 171509495
1-methyl-3-propan-2-ylpyrido[3,2-d]pyrimidine-2,4-dione
CID 146615672
azane;2,4-diethyl-1-methylbenzimidazole
CID 69090242
3-ethyl-1H-pyrrolo[3,2-b]pyridin-2-ol
CID 137200582
ethane;3-ethyl-2-methyl-1H-pyrrolo[3,2-b]pyridine
CID 142876995
ethane;2-ethyl-4-fluoro-1-methylbenzimidazole
CID 176704050

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-1-methylpyrrolo[3,2-b]pyridin-2-yl)-N-methylmethanimine?
The IUPAC name of 1-(3-ethyl-1-methylpyrrolo[3,2-b]pyridin-2-yl)-N-methylmethanimine (CID 148771611) is 1-(3-ethyl-1-methylpyrrolo[3,2-b]pyridin-2-yl)-N-methylmethanimine.
What is the SMILES notation for 1-(3-ethyl-1-methylpyrrolo[3,2-b]pyridin-2-yl)-N-methylmethanimine?
The canonical SMILES for 1-(3-ethyl-1-methylpyrrolo[3,2-b]pyridin-2-yl)-N-methylmethanimine is CCc1c(/C=N/C)n(C)c2cccnc12.
What is the InChIKey of 1-(3-ethyl-1-methylpyrrolo[3,2-b]pyridin-2-yl)-N-methylmethanimine?
The InChIKey is OINFESAHDUEIOS-MDWZMJQESA-N. The full InChI is InChI=1S/C12H15N3/c1-4-9-11(8-13-2)15(3)10-6-5-7-14-12(9)10/h5-8H,4H2,1-3H3/b13-8+.
What are the key properties of 1-(3-ethyl-1-methylpyrrolo[3,2-b]pyridin-2-yl)-N-methylmethanimine?
1-(3-ethyl-1-methylpyrrolo[3,2-b]pyridin-2-yl)-N-methylmethanimine has a molecular weight of 201.27 g/mol, XLogP of 2.18, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-1-methylpyrrolo[3,2-b]pyridin-2-yl)-N-methylmethanimine is sourced from PubChem (CID 148771611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).