1-(3-propoxypropyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine

C12H21N3O — CID 82947515

IUPAC1-(3-propoxypropyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCCCOCCCn1cnc2c1CCNC2
InChIInChI=1S/C12H21N3O/c1-2-7-16-8-3-6-15-10-14-11-9-13-5-4-12(11)15/h10,13H,2-9H2,1H3
InChIKeyRTJKBLSPSYRDSD-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.35
Rot. Bonds6

About 1-(3-propoxypropyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine

1-(3-propoxypropyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine (PubChem CID 82947515) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 1-(3-propoxypropyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name1-(3-propoxypropyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
PubChem CID82947515
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name1-(3-propoxypropyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCCCOCCCn1cnc2c1CCNC2
InChIInChI=1S/C12H21N3O/c1-2-7-16-8-3-6-15-10-14-11-9-13-5-4-12(11)15/h10,13H,2-9H2,1H3
InChIKeyRTJKBLSPSYRDSD-UHFFFAOYSA-N
XLogP1.35
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.35
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-(3-propoxypropyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The IUPAC name of 1-(3-propoxypropyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine (CID 82947515) is 1-(3-propoxypropyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine.
What is the SMILES notation for 1-(3-propoxypropyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The canonical SMILES for 1-(3-propoxypropyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine is CCCOCCCn1cnc2c1CCNC2.
What is the InChIKey of 1-(3-propoxypropyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The InChIKey is RTJKBLSPSYRDSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-2-7-16-8-3-6-15-10-14-11-9-13-5-4-12(11)15/h10,13H,2-9H2,1H3.
What are the key properties of 1-(3-propoxypropyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
1-(3-propoxypropyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine has a molecular weight of 223.32 g/mol, XLogP of 1.35, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-propoxypropyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine is sourced from PubChem (CID 82947515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).