(5S,8aS)-5,7-dimethyl-6-phenyl-1,2,3,5,8,8a-hexahydroindolizine

C16H21N — CID 102221642

IUPAC(5S,8aS)-5,7-dimethyl-6-phenyl-1,2,3,5,8,8a-hexahydroindolizine
SMILESCC1=C(c2ccccc2)[C@H](C)N2CCC[C@H]2C1
InChIInChI=1S/C16H21N/c1-12-11-15-9-6-10-17(15)13(2)16(12)14-7-4-3-5-8-14/h3-5,7-8,13,15H,6,9-11H2,1-2H3/t13-,15-/m0/s1
InChIKeyOQRXDICNXIIMQQ-ZFWWWQNUSA-N
MW227.35 g/mol
LogP3.72
Rot. Bonds1

About (5S,8aS)-5,7-dimethyl-6-phenyl-1,2,3,5,8,8a-hexahydroindolizine

(5S,8aS)-5,7-dimethyl-6-phenyl-1,2,3,5,8,8a-hexahydroindolizine (PubChem CID 102221642) has the molecular formula C16H21N and a molecular weight of 227.35 g/mol. Its IUPAC name is (5S,8aS)-5,7-dimethyl-6-phenyl-1,2,3,5,8,8a-hexahydroindolizine.

Molecular Properties

Compound Name(5S,8aS)-5,7-dimethyl-6-phenyl-1,2,3,5,8,8a-hexahydroindolizine
PubChem CID102221642
Molecular FormulaC16H21N
Molecular Weight227.35 g/mol
Exact Mass227.17
IUPAC Name(5S,8aS)-5,7-dimethyl-6-phenyl-1,2,3,5,8,8a-hexahydroindolizine
SMILESCC1=C(c2ccccc2)[C@H](C)N2CCC[C@H]2C1
InChIInChI=1S/C16H21N/c1-12-11-15-9-6-10-17(15)13(2)16(12)14-7-4-3-5-8-14/h3-5,7-8,13,15H,6,9-11H2,1-2H3/t13-,15-/m0/s1
InChIKeyOQRXDICNXIIMQQ-ZFWWWQNUSA-N
XLogP3.72
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (5S,8aS)-5,7-dimethyl-6-phenyl-1,2,3,5,8,8a-hexahydroindolizine with MolForge

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

Launch Full Analysis

Related Compounds

6-methyl-5-phenyl-2,3,8,8a-tetrahydro-1H-indolizin-7-one
CID 86234429
3-(2-phenylpyrrolidin-1-yl)azepane
CID 114218538
(1R,7S)-7-methyl-5-phenyl-3,4,6,9-tetrazatricyclo[7.3.0.02,6]dodeca-2,4-dien-8-one
CID 163308414
(3R,8aR)-3-(2-phenylethynyl)-1,2,3,5,6,7,8,8a-octahydroindolizine
CID 132541243
5-[1,2,3,5,6,7,8,8a-octahydroindolizin-5-yl-(4-phenylphenyl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizine
CID 68861732
1-cyclononyl-2-phenylsulfanylazonane
CID 70505831
(5S)-6-methyl-7-phenyl-1-azabicyclo[3.2.0]heptane
CID 53360597
4-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-3-ol
CID 130143986
1-benzyl-4-[(2R)-2-methylpiperidin-1-yl]piperidine
CID 30983085
5-(3-methylpiperidin-1-yl)-3-phenyl-1,2,4-oxadiazole
CID 46342002
4-(2-bromophenyl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine
CID 15599085
3-methyl-2-phenyl-2,3,5,6,7,8,9,9a-octahydro-[1,3]oxazolo[3,2-a]azepine
CID 135070526

Frequently Asked Questions

What is the IUPAC name of (5S,8aS)-5,7-dimethyl-6-phenyl-1,2,3,5,8,8a-hexahydroindolizine?
The IUPAC name of (5S,8aS)-5,7-dimethyl-6-phenyl-1,2,3,5,8,8a-hexahydroindolizine (CID 102221642) is (5S,8aS)-5,7-dimethyl-6-phenyl-1,2,3,5,8,8a-hexahydroindolizine.
What is the SMILES notation for (5S,8aS)-5,7-dimethyl-6-phenyl-1,2,3,5,8,8a-hexahydroindolizine?
The canonical SMILES for (5S,8aS)-5,7-dimethyl-6-phenyl-1,2,3,5,8,8a-hexahydroindolizine is CC1=C(c2ccccc2)[C@H](C)N2CCC[C@H]2C1.
What is the InChIKey of (5S,8aS)-5,7-dimethyl-6-phenyl-1,2,3,5,8,8a-hexahydroindolizine?
The InChIKey is OQRXDICNXIIMQQ-ZFWWWQNUSA-N. The full InChI is InChI=1S/C16H21N/c1-12-11-15-9-6-10-17(15)13(2)16(12)14-7-4-3-5-8-14/h3-5,7-8,13,15H,6,9-11H2,1-2H3/t13-,15-/m0/s1.
What are the key properties of (5S,8aS)-5,7-dimethyl-6-phenyl-1,2,3,5,8,8a-hexahydroindolizine?
(5S,8aS)-5,7-dimethyl-6-phenyl-1,2,3,5,8,8a-hexahydroindolizine has a molecular weight of 227.35 g/mol, XLogP of 3.72, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,8aS)-5,7-dimethyl-6-phenyl-1,2,3,5,8,8a-hexahydroindolizine is sourced from PubChem (CID 102221642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).