2-propan-2-yloxy-8-(propan-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine

C14H27NO2 — CID 169289855

IUPAC2-propan-2-yloxy-8-(propan-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine
SMILESCC(C)OCC12CCCN1CC(OC(C)C)C2
InChIInChI=1S/C14H27NO2/c1-11(2)16-10-14-6-5-7-15(14)9-13(8-14)17-12(3)4/h11-13H,5-10H2,1-4H3
InChIKeyBZIFRWZZTLYBTR-UHFFFAOYSA-N
MW241.37 g/mol
LogP2.44
Rot. Bonds5

About 2-propan-2-yloxy-8-(propan-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine

2-propan-2-yloxy-8-(propan-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine (PubChem CID 169289855) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is 2-propan-2-yloxy-8-(propan-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine.

Molecular Properties

Compound Name2-propan-2-yloxy-8-(propan-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine
PubChem CID169289855
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name2-propan-2-yloxy-8-(propan-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine
SMILESCC(C)OCC12CCCN1CC(OC(C)C)C2
InChIInChI=1S/C14H27NO2/c1-11(2)16-10-14-6-5-7-15(14)9-13(8-14)17-12(3)4/h11-13H,5-10H2,1-4H3
InChIKeyBZIFRWZZTLYBTR-UHFFFAOYSA-N
XLogP2.44
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yloxy-8-(propan-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine?
The IUPAC name of 2-propan-2-yloxy-8-(propan-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine (CID 169289855) is 2-propan-2-yloxy-8-(propan-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine.
What is the SMILES notation for 2-propan-2-yloxy-8-(propan-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine?
The canonical SMILES for 2-propan-2-yloxy-8-(propan-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine is CC(C)OCC12CCCN1CC(OC(C)C)C2.
What is the InChIKey of 2-propan-2-yloxy-8-(propan-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine?
The InChIKey is BZIFRWZZTLYBTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-11(2)16-10-14-6-5-7-15(14)9-13(8-14)17-12(3)4/h11-13H,5-10H2,1-4H3.
What are the key properties of 2-propan-2-yloxy-8-(propan-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine?
2-propan-2-yloxy-8-(propan-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine has a molecular weight of 241.37 g/mol, XLogP of 2.44, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yloxy-8-(propan-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine is sourced from PubChem (CID 169289855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).