1-methyl-7-(2-methylpropoxymethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine

C12H21N3O — CID 121229601

IUPAC1-methyl-7-(2-methylpropoxymethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCC(C)COCC1CNCc2ncn(C)c21
InChIInChI=1S/C12H21N3O/c1-9(2)6-16-7-10-4-13-5-11-12(10)15(3)8-14-11/h8-10,13H,4-7H2,1-3H3
InChIKeyWWKNHYNZVVYIQH-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.28
Rot. Bonds4

About 1-methyl-7-(2-methylpropoxymethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine

1-methyl-7-(2-methylpropoxymethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine (PubChem CID 121229601) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 1-methyl-7-(2-methylpropoxymethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name1-methyl-7-(2-methylpropoxymethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
PubChem CID121229601
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name1-methyl-7-(2-methylpropoxymethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCC(C)COCC1CNCc2ncn(C)c21
InChIInChI=1S/C12H21N3O/c1-9(2)6-16-7-10-4-13-5-11-12(10)15(3)8-14-11/h8-10,13H,4-7H2,1-3H3
InChIKeyWWKNHYNZVVYIQH-UHFFFAOYSA-N
XLogP1.28
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-7-(2-methylpropoxymethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The IUPAC name of 1-methyl-7-(2-methylpropoxymethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine (CID 121229601) is 1-methyl-7-(2-methylpropoxymethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine.
What is the SMILES notation for 1-methyl-7-(2-methylpropoxymethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The canonical SMILES for 1-methyl-7-(2-methylpropoxymethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine is CC(C)COCC1CNCc2ncn(C)c21.
What is the InChIKey of 1-methyl-7-(2-methylpropoxymethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The InChIKey is WWKNHYNZVVYIQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-9(2)6-16-7-10-4-13-5-11-12(10)15(3)8-14-11/h8-10,13H,4-7H2,1-3H3.
What are the key properties of 1-methyl-7-(2-methylpropoxymethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
1-methyl-7-(2-methylpropoxymethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine has a molecular weight of 223.32 g/mol, XLogP of 1.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-7-(2-methylpropoxymethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine is sourced from PubChem (CID 121229601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).