6-tert-butyl-5-propyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyridine

C13H25NO2 — CID 155003909

IUPAC6-tert-butyl-5-propyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyridine
SMILESCCCN1CC2OCOC2CC1C(C)(C)C
InChIInChI=1S/C13H25NO2/c1-5-6-14-8-11-10(15-9-16-11)7-12(14)13(2,3)4/h10-12H,5-9H2,1-4H3
InChIKeyAGUFIVNXQZARLH-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.26
Rot. Bonds2

About 6-tert-butyl-5-propyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyridine

6-tert-butyl-5-propyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyridine (PubChem CID 155003909) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 6-tert-butyl-5-propyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyridine.

Molecular Properties

Compound Name6-tert-butyl-5-propyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyridine
PubChem CID155003909
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name6-tert-butyl-5-propyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyridine
SMILESCCCN1CC2OCOC2CC1C(C)(C)C
InChIInChI=1S/C13H25NO2/c1-5-6-14-8-11-10(15-9-16-11)7-12(14)13(2,3)4/h10-12H,5-9H2,1-4H3
InChIKeyAGUFIVNXQZARLH-UHFFFAOYSA-N
XLogP2.26
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-5-propyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyridine?
The IUPAC name of 6-tert-butyl-5-propyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyridine (CID 155003909) is 6-tert-butyl-5-propyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyridine.
What is the SMILES notation for 6-tert-butyl-5-propyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyridine?
The canonical SMILES for 6-tert-butyl-5-propyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyridine is CCCN1CC2OCOC2CC1C(C)(C)C.
What is the InChIKey of 6-tert-butyl-5-propyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyridine?
The InChIKey is AGUFIVNXQZARLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-5-6-14-8-11-10(15-9-16-11)7-12(14)13(2,3)4/h10-12H,5-9H2,1-4H3.
What are the key properties of 6-tert-butyl-5-propyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyridine?
6-tert-butyl-5-propyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyridine has a molecular weight of 227.35 g/mol, XLogP of 2.26, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-5-propyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyridine is sourced from PubChem (CID 155003909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).