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

C13H23N3O — CID 64857673

IUPAC1-(2-ethoxyethyl)-2-propan-2-yl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCCOCCn1c(C(C)C)nc2c1CCNC2
InChIInChI=1S/C13H23N3O/c1-4-17-8-7-16-12-5-6-14-9-11(12)15-13(16)10(2)3/h10,14H,4-9H2,1-3H3
InChIKeyLAEKERZIBHYISF-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.69
Rot. Bonds5

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

1-(2-ethoxyethyl)-2-propan-2-yl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine (PubChem CID 64857673) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 1-(2-ethoxyethyl)-2-propan-2-yl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name1-(2-ethoxyethyl)-2-propan-2-yl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
PubChem CID64857673
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name1-(2-ethoxyethyl)-2-propan-2-yl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCCOCCn1c(C(C)C)nc2c1CCNC2
InChIInChI=1S/C13H23N3O/c1-4-17-8-7-16-12-5-6-14-9-11(12)15-13(16)10(2)3/h10,14H,4-9H2,1-3H3
InChIKeyLAEKERZIBHYISF-UHFFFAOYSA-N
XLogP1.69
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyethyl)-2-propan-2-yl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The IUPAC name of 1-(2-ethoxyethyl)-2-propan-2-yl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine (CID 64857673) is 1-(2-ethoxyethyl)-2-propan-2-yl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine.
What is the SMILES notation for 1-(2-ethoxyethyl)-2-propan-2-yl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The canonical SMILES for 1-(2-ethoxyethyl)-2-propan-2-yl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine is CCOCCn1c(C(C)C)nc2c1CCNC2.
What is the InChIKey of 1-(2-ethoxyethyl)-2-propan-2-yl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The InChIKey is LAEKERZIBHYISF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-4-17-8-7-16-12-5-6-14-9-11(12)15-13(16)10(2)3/h10,14H,4-9H2,1-3H3.
What are the key properties of 1-(2-ethoxyethyl)-2-propan-2-yl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
1-(2-ethoxyethyl)-2-propan-2-yl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine has a molecular weight of 237.35 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyethyl)-2-propan-2-yl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine is sourced from PubChem (CID 64857673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).