[(3R,8R)-8-(propan-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]methyl N,N-dimethylcarbamate

C15H28N2O3 — CID 166533681

IUPAC[(3R,8R)-8-(propan-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]methyl N,N-dimethylcarbamate
SMILESCC(C)OC[C@]12CCCN1[C@@H](COC(=O)N(C)C)CC2
InChIInChI=1S/C15H28N2O3/c1-12(2)20-11-15-7-5-9-17(15)13(6-8-15)10-19-14(18)16(3)4/h12-13H,5-11H2,1-4H3/t13-,15-/m1/s1
InChIKeyZZSHMKFBSLHFGG-UKRRQHHQSA-N
MW284.40 g/mol
LogP2.11
Rot. Bonds5

About [(3R,8R)-8-(propan-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]methyl N,N-dimethylcarbamate

[(3R,8R)-8-(propan-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]methyl N,N-dimethylcarbamate (PubChem CID 166533681) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is [(3R,8R)-8-(propan-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]methyl N,N-dimethylcarbamate.

Molecular Properties

Compound Name[(3R,8R)-8-(propan-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]methyl N,N-dimethylcarbamate
PubChem CID166533681
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name[(3R,8R)-8-(propan-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]methyl N,N-dimethylcarbamate
SMILESCC(C)OC[C@]12CCCN1[C@@H](COC(=O)N(C)C)CC2
InChIInChI=1S/C15H28N2O3/c1-12(2)20-11-15-7-5-9-17(15)13(6-8-15)10-19-14(18)16(3)4/h12-13H,5-11H2,1-4H3/t13-,15-/m1/s1
InChIKeyZZSHMKFBSLHFGG-UKRRQHHQSA-N
XLogP2.11
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(3R,8R)-8-(propan-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]methyl N,N-dimethylcarbamate?
The IUPAC name of [(3R,8R)-8-(propan-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]methyl N,N-dimethylcarbamate (CID 166533681) is [(3R,8R)-8-(propan-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]methyl N,N-dimethylcarbamate.
What is the SMILES notation for [(3R,8R)-8-(propan-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]methyl N,N-dimethylcarbamate?
The canonical SMILES for [(3R,8R)-8-(propan-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]methyl N,N-dimethylcarbamate is CC(C)OC[C@]12CCCN1[C@@H](COC(=O)N(C)C)CC2.
What is the InChIKey of [(3R,8R)-8-(propan-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]methyl N,N-dimethylcarbamate?
The InChIKey is ZZSHMKFBSLHFGG-UKRRQHHQSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-12(2)20-11-15-7-5-9-17(15)13(6-8-15)10-19-14(18)16(3)4/h12-13H,5-11H2,1-4H3/t13-,15-/m1/s1.
What are the key properties of [(3R,8R)-8-(propan-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]methyl N,N-dimethylcarbamate?
[(3R,8R)-8-(propan-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]methyl N,N-dimethylcarbamate has a molecular weight of 284.40 g/mol, XLogP of 2.11, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,8R)-8-(propan-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]methyl N,N-dimethylcarbamate is sourced from PubChem (CID 166533681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).