8a-[(2-methylpropan-2-yl)oxymethyl]-2,3,5,6,7,8-hexahydro-1H-indolizine

C13H25NO — CID 169299983

IUPAC8a-[(2-methylpropan-2-yl)oxymethyl]-2,3,5,6,7,8-hexahydro-1H-indolizine
SMILESCC(C)(C)OCC12CCCCN1CCC2
InChIInChI=1S/C13H25NO/c1-12(2,3)15-11-13-7-4-5-9-14(13)10-6-8-13/h4-11H2,1-3H3
InChIKeyAGFSDIVCSNEWBV-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.82
Rot. Bonds2

About 8a-[(2-methylpropan-2-yl)oxymethyl]-2,3,5,6,7,8-hexahydro-1H-indolizine

8a-[(2-methylpropan-2-yl)oxymethyl]-2,3,5,6,7,8-hexahydro-1H-indolizine (PubChem CID 169299983) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 8a-[(2-methylpropan-2-yl)oxymethyl]-2,3,5,6,7,8-hexahydro-1H-indolizine.

Molecular Properties

Compound Name8a-[(2-methylpropan-2-yl)oxymethyl]-2,3,5,6,7,8-hexahydro-1H-indolizine
PubChem CID169299983
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name8a-[(2-methylpropan-2-yl)oxymethyl]-2,3,5,6,7,8-hexahydro-1H-indolizine
SMILESCC(C)(C)OCC12CCCCN1CCC2
InChIInChI=1S/C13H25NO/c1-12(2,3)15-11-13-7-4-5-9-14(13)10-6-8-13/h4-11H2,1-3H3
InChIKeyAGFSDIVCSNEWBV-UHFFFAOYSA-N
XLogP2.82
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 8a-[(2-methylpropan-2-yl)oxymethyl]-2,3,5,6,7,8-hexahydro-1H-indolizine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8a-[(2-methylpropan-2-yl)oxymethyl]-2,3,5,6,7,8-hexahydro-1H-indolizine?
The IUPAC name of 8a-[(2-methylpropan-2-yl)oxymethyl]-2,3,5,6,7,8-hexahydro-1H-indolizine (CID 169299983) is 8a-[(2-methylpropan-2-yl)oxymethyl]-2,3,5,6,7,8-hexahydro-1H-indolizine.
What is the SMILES notation for 8a-[(2-methylpropan-2-yl)oxymethyl]-2,3,5,6,7,8-hexahydro-1H-indolizine?
The canonical SMILES for 8a-[(2-methylpropan-2-yl)oxymethyl]-2,3,5,6,7,8-hexahydro-1H-indolizine is CC(C)(C)OCC12CCCCN1CCC2.
What is the InChIKey of 8a-[(2-methylpropan-2-yl)oxymethyl]-2,3,5,6,7,8-hexahydro-1H-indolizine?
The InChIKey is AGFSDIVCSNEWBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-12(2,3)15-11-13-7-4-5-9-14(13)10-6-8-13/h4-11H2,1-3H3.
What are the key properties of 8a-[(2-methylpropan-2-yl)oxymethyl]-2,3,5,6,7,8-hexahydro-1H-indolizine?
8a-[(2-methylpropan-2-yl)oxymethyl]-2,3,5,6,7,8-hexahydro-1H-indolizine has a molecular weight of 211.35 g/mol, XLogP of 2.82, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8a-[(2-methylpropan-2-yl)oxymethyl]-2,3,5,6,7,8-hexahydro-1H-indolizine is sourced from PubChem (CID 169299983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).