1-(cyclopropylmethyl)-7-(ethoxymethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine;hydrochloride

C13H22ClN3O — CID 155843711

IUPAC1-(cyclopropylmethyl)-7-(ethoxymethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine;hydrochloride
SMILESCCOCC1CNCc2ncn(CC3CC3)c21.Cl
InChIInChI=1S/C13H21N3O.ClH/c1-2-17-8-11-5-14-6-12-13(11)16(9-15-12)7-10-3-4-10;/h9-11,14H,2-8H2,1H3;1H
InChIKeyFLNVHKBLZLZADI-UHFFFAOYSA-N
MW271.79 g/mol
LogP1.94
Rot. Bonds5

About 1-(cyclopropylmethyl)-7-(ethoxymethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine;hydrochloride

1-(cyclopropylmethyl)-7-(ethoxymethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine;hydrochloride (PubChem CID 155843711) has the molecular formula C13H22ClN3O and a molecular weight of 271.79 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-7-(ethoxymethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine;hydrochloride.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-7-(ethoxymethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine;hydrochloride
PubChem CID155843711
Molecular FormulaC13H22ClN3O
Molecular Weight271.79 g/mol
Exact Mass271.15
IUPAC Name1-(cyclopropylmethyl)-7-(ethoxymethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine;hydrochloride
SMILESCCOCC1CNCc2ncn(CC3CC3)c21.Cl
InChIInChI=1S/C13H21N3O.ClH/c1-2-17-8-11-5-14-6-12-13(11)16(9-15-12)7-10-3-4-10;/h9-11,14H,2-8H2,1H3;1H
InChIKeyFLNVHKBLZLZADI-UHFFFAOYSA-N
XLogP1.94
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.79
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-7-(ethoxymethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine;hydrochloride?
The IUPAC name of 1-(cyclopropylmethyl)-7-(ethoxymethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine;hydrochloride (CID 155843711) is 1-(cyclopropylmethyl)-7-(ethoxymethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine;hydrochloride.
What is the SMILES notation for 1-(cyclopropylmethyl)-7-(ethoxymethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine;hydrochloride?
The canonical SMILES for 1-(cyclopropylmethyl)-7-(ethoxymethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine;hydrochloride is CCOCC1CNCc2ncn(CC3CC3)c21.Cl.
What is the InChIKey of 1-(cyclopropylmethyl)-7-(ethoxymethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine;hydrochloride?
The InChIKey is FLNVHKBLZLZADI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O.ClH/c1-2-17-8-11-5-14-6-12-13(11)16(9-15-12)7-10-3-4-10;/h9-11,14H,2-8H2,1H3;1H.
What are the key properties of 1-(cyclopropylmethyl)-7-(ethoxymethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine;hydrochloride?
1-(cyclopropylmethyl)-7-(ethoxymethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine;hydrochloride has a molecular weight of 271.79 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-7-(ethoxymethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine;hydrochloride is sourced from PubChem (CID 155843711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).