4-[2-[1-[(8R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl]imidazol-2-yl]-2-methylpropyl]morpholine

C19H32N4O — CID 138381689

IUPAC4-[2-[1-[(8R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl]imidazol-2-yl]-2-methylpropyl]morpholine
SMILESCC(C)(CN1CCOCC1)c1nccn1[C@@H]1CCCN2CCC[C@H]12
InChIInChI=1S/C19H32N4O/c1-19(2,15-21-11-13-24-14-12-21)18-20-7-10-23(18)17-6-4-9-22-8-3-5-16(17)22/h7,10,16-17H,3-6,8-9,11-15H2,1-2H3/t16-,17-/m1/s1
InChIKeyMZMWKQHDZAWUJI-IAGOWNOFSA-N
MW332.49 g/mol
LogP2.29
Rot. Bonds4

About 4-[2-[1-[(8R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl]imidazol-2-yl]-2-methylpropyl]morpholine

4-[2-[1-[(8R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl]imidazol-2-yl]-2-methylpropyl]morpholine (PubChem CID 138381689) has the molecular formula C19H32N4O and a molecular weight of 332.49 g/mol. Its IUPAC name is 4-[2-[1-[(8R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl]imidazol-2-yl]-2-methylpropyl]morpholine.

Molecular Properties

Compound Name4-[2-[1-[(8R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl]imidazol-2-yl]-2-methylpropyl]morpholine
PubChem CID138381689
Molecular FormulaC19H32N4O
Molecular Weight332.49 g/mol
Exact Mass332.26
IUPAC Name4-[2-[1-[(8R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl]imidazol-2-yl]-2-methylpropyl]morpholine
SMILESCC(C)(CN1CCOCC1)c1nccn1[C@@H]1CCCN2CCC[C@H]12
InChIInChI=1S/C19H32N4O/c1-19(2,15-21-11-13-24-14-12-21)18-20-7-10-23(18)17-6-4-9-22-8-3-5-16(17)22/h7,10,16-17H,3-6,8-9,11-15H2,1-2H3/t16-,17-/m1/s1
InChIKeyMZMWKQHDZAWUJI-IAGOWNOFSA-N
XLogP2.29
TPSA33.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[1-[(8R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl]imidazol-2-yl]-2-methylpropyl]morpholine?
The IUPAC name of 4-[2-[1-[(8R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl]imidazol-2-yl]-2-methylpropyl]morpholine (CID 138381689) is 4-[2-[1-[(8R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl]imidazol-2-yl]-2-methylpropyl]morpholine.
What is the SMILES notation for 4-[2-[1-[(8R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl]imidazol-2-yl]-2-methylpropyl]morpholine?
The canonical SMILES for 4-[2-[1-[(8R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl]imidazol-2-yl]-2-methylpropyl]morpholine is CC(C)(CN1CCOCC1)c1nccn1[C@@H]1CCCN2CCC[C@H]12.
What is the InChIKey of 4-[2-[1-[(8R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl]imidazol-2-yl]-2-methylpropyl]morpholine?
The InChIKey is MZMWKQHDZAWUJI-IAGOWNOFSA-N. The full InChI is InChI=1S/C19H32N4O/c1-19(2,15-21-11-13-24-14-12-21)18-20-7-10-23(18)17-6-4-9-22-8-3-5-16(17)22/h7,10,16-17H,3-6,8-9,11-15H2,1-2H3/t16-,17-/m1/s1.
What are the key properties of 4-[2-[1-[(8R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl]imidazol-2-yl]-2-methylpropyl]morpholine?
4-[2-[1-[(8R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl]imidazol-2-yl]-2-methylpropyl]morpholine has a molecular weight of 332.49 g/mol, XLogP of 2.29, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[1-[(8R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl]imidazol-2-yl]-2-methylpropyl]morpholine is sourced from PubChem (CID 138381689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).