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

C13H21N3O — CID 113491338

IUPAC2-methyl-1-(4-methyloxan-4-yl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCc1nc2c(n1C1(C)CCOCC1)CCNC2
InChIInChI=1S/C13H21N3O/c1-10-15-11-9-14-6-3-12(11)16(10)13(2)4-7-17-8-5-13/h14H,3-9H2,1-2H3
InChIKeyCMJHDAOUUJVCQH-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.36
Rot. Bonds1

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

2-methyl-1-(4-methyloxan-4-yl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine (PubChem CID 113491338) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-methyl-1-(4-methyloxan-4-yl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-methyl-1-(4-methyloxan-4-yl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
PubChem CID113491338
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name2-methyl-1-(4-methyloxan-4-yl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCc1nc2c(n1C1(C)CCOCC1)CCNC2
InChIInChI=1S/C13H21N3O/c1-10-15-11-9-14-6-3-12(11)16(10)13(2)4-7-17-8-5-13/h14H,3-9H2,1-2H3
InChIKeyCMJHDAOUUJVCQH-UHFFFAOYSA-N
XLogP1.36
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(4-methyloxan-4-yl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The IUPAC name of 2-methyl-1-(4-methyloxan-4-yl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine (CID 113491338) is 2-methyl-1-(4-methyloxan-4-yl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine.
What is the SMILES notation for 2-methyl-1-(4-methyloxan-4-yl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The canonical SMILES for 2-methyl-1-(4-methyloxan-4-yl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine is Cc1nc2c(n1C1(C)CCOCC1)CCNC2.
What is the InChIKey of 2-methyl-1-(4-methyloxan-4-yl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The InChIKey is CMJHDAOUUJVCQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-10-15-11-9-14-6-3-12(11)16(10)13(2)4-7-17-8-5-13/h14H,3-9H2,1-2H3.
What are the key properties of 2-methyl-1-(4-methyloxan-4-yl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
2-methyl-1-(4-methyloxan-4-yl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine has a molecular weight of 235.33 g/mol, XLogP of 1.36, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(4-methyloxan-4-yl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine is sourced from PubChem (CID 113491338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).