6-(2-ethyl-2-methyloxan-4-yl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine

C15H28N2O — CID 102678334

IUPAC6-(2-ethyl-2-methyloxan-4-yl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
SMILESCCC1(C)CC(N2CC3CCCNC3C2)CCO1
InChIInChI=1S/C15H28N2O/c1-3-15(2)9-13(6-8-18-15)17-10-12-5-4-7-16-14(12)11-17/h12-14,16H,3-11H2,1-2H3
InChIKeyCDOXTBPEQQZPNS-UHFFFAOYSA-N
MW252.40 g/mol
LogP2.02
Rot. Bonds2

About 6-(2-ethyl-2-methyloxan-4-yl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine

6-(2-ethyl-2-methyloxan-4-yl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine (PubChem CID 102678334) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is 6-(2-ethyl-2-methyloxan-4-yl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine.

Molecular Properties

Compound Name6-(2-ethyl-2-methyloxan-4-yl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
PubChem CID102678334
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name6-(2-ethyl-2-methyloxan-4-yl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
SMILESCCC1(C)CC(N2CC3CCCNC3C2)CCO1
InChIInChI=1S/C15H28N2O/c1-3-15(2)9-13(6-8-18-15)17-10-12-5-4-7-16-14(12)11-17/h12-14,16H,3-11H2,1-2H3
InChIKeyCDOXTBPEQQZPNS-UHFFFAOYSA-N
XLogP2.02
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-(2-ethyl-2-methyloxan-4-yl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine with MolForge

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Related Compounds

(4aS,7aS)-6-(1-oxaspiro[5.5]undecan-4-yl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102682694
(4aS,7aS)-6-(2,6-dioxaspiro[4.5]decan-9-yl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102682765
6-(oxolan-3-yl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102678402
6-cyclobutyl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102678458
6-(thian-4-yl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102678235
6-(4-ethylcycloheptyl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102678338
3-cyclopropyl-1-(2,2-dimethyloxan-4-yl)piperazine
CID 83039042
(4aS,7aR)-6-ethyl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 124762075
1-(2-ethyl-2-methyloxan-4-yl)-N,4-dimethylpiperidin-4-amine
CID 113282868
6-(3,4-dimethylcyclohexyl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102678314
6-(2,2-dimethylcyclopentyl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102678540
(4aS,7aS)-6-(3-cyclopropylcyclohexyl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 103887131

Frequently Asked Questions

What is the IUPAC name of 6-(2-ethyl-2-methyloxan-4-yl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine?
The IUPAC name of 6-(2-ethyl-2-methyloxan-4-yl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine (CID 102678334) is 6-(2-ethyl-2-methyloxan-4-yl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine.
What is the SMILES notation for 6-(2-ethyl-2-methyloxan-4-yl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine?
The canonical SMILES for 6-(2-ethyl-2-methyloxan-4-yl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine is CCC1(C)CC(N2CC3CCCNC3C2)CCO1.
What is the InChIKey of 6-(2-ethyl-2-methyloxan-4-yl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine?
The InChIKey is CDOXTBPEQQZPNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-3-15(2)9-13(6-8-18-15)17-10-12-5-4-7-16-14(12)11-17/h12-14,16H,3-11H2,1-2H3.
What are the key properties of 6-(2-ethyl-2-methyloxan-4-yl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine?
6-(2-ethyl-2-methyloxan-4-yl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine has a molecular weight of 252.40 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-ethyl-2-methyloxan-4-yl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine is sourced from PubChem (CID 102678334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).