2-tert-butyl-6-ethyl-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole

C13H25NO — CID 118901669

IUPAC2-tert-butyl-6-ethyl-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole
SMILESCCC1CC2CN(C(C)(C)C)CC2CO1
InChIInChI=1S/C13H25NO/c1-5-12-6-10-7-14(13(2,3)4)8-11(10)9-15-12/h10-12H,5-9H2,1-4H3
InChIKeyYENYQHOZXCFFOR-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.53
Rot. Bonds1

About 2-tert-butyl-6-ethyl-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole

2-tert-butyl-6-ethyl-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole (PubChem CID 118901669) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 2-tert-butyl-6-ethyl-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole.

Molecular Properties

Compound Name2-tert-butyl-6-ethyl-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole
PubChem CID118901669
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name2-tert-butyl-6-ethyl-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole
SMILESCCC1CC2CN(C(C)(C)C)CC2CO1
InChIInChI=1S/C13H25NO/c1-5-12-6-10-7-14(13(2,3)4)8-11(10)9-15-12/h10-12H,5-9H2,1-4H3
InChIKeyYENYQHOZXCFFOR-UHFFFAOYSA-N
XLogP2.53
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-tert-butyl-6-ethyl-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole with MolForge

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Launch Full Analysis

Related Compounds

7,9-ditert-butyl-3-oxa-7-azabicyclo[3.3.1]nonane
CID 166559685
2-tert-butyl-5-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 154651567
7-tert-butyl-3-oxa-7-azabicyclo[3.3.1]nonan-9-ol
CID 140929393
(3aR,7aS)-2-tert-butyl-1,3,3a,4,5,6,7,7a-octahydroisoindole
CID 58968201
5-ethyloxolan-3-amine
CID 89032290
5-tert-butyl-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 22943643
(3aR,6aS)-5-tert-butyl-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 90292242
5-tert-butyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole
CID 118901666
3-tert-butyl-6-ethyl-3,6-diazabicyclo[3.2.0]heptane
CID 89161716
(4R)-6-ethyloxane-3,4-diol
CID 90277867
5-tert-butyl-1-methyl-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridine
CID 118901667
2-tert-butyl-5-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydroisoindole
CID 174199616

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-ethyl-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole?
The IUPAC name of 2-tert-butyl-6-ethyl-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole (CID 118901669) is 2-tert-butyl-6-ethyl-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole.
What is the SMILES notation for 2-tert-butyl-6-ethyl-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole?
The canonical SMILES for 2-tert-butyl-6-ethyl-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole is CCC1CC2CN(C(C)(C)C)CC2CO1.
What is the InChIKey of 2-tert-butyl-6-ethyl-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole?
The InChIKey is YENYQHOZXCFFOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-5-12-6-10-7-14(13(2,3)4)8-11(10)9-15-12/h10-12H,5-9H2,1-4H3.
What are the key properties of 2-tert-butyl-6-ethyl-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole?
2-tert-butyl-6-ethyl-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole has a molecular weight of 211.35 g/mol, XLogP of 2.53, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-ethyl-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole is sourced from PubChem (CID 118901669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).