(2S,12bR)-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-2-amine

C15H19N3 — CID 129405284

IUPAC(2S,12bR)-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-2-amine
SMILESN[C@H]1CCN2CCc3c([nH]c4ccccc34)[C@H]2C1
InChIInChI=1S/C15H19N3/c16-10-5-7-18-8-6-12-11-3-1-2-4-13(11)17-15(12)14(18)9-10/h1-4,10,14,17H,5-9,16H2/t10-,14+/m0/s1
InChIKeyDOOAEYGCSVCQDK-IINYFYTJSA-N
MW241.34 g/mol
LogP2.19
Rot. Bonds

About (2S,12bR)-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-2-amine

(2S,12bR)-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-2-amine (PubChem CID 129405284) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is (2S,12bR)-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-2-amine.

Molecular Properties

Compound Name(2S,12bR)-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-2-amine
PubChem CID129405284
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC Name(2S,12bR)-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-2-amine
SMILESN[C@H]1CCN2CCc3c([nH]c4ccccc34)[C@H]2C1
InChIInChI=1S/C15H19N3/c16-10-5-7-18-8-6-12-11-3-1-2-4-13(11)17-15(12)14(18)9-10/h1-4,10,14,17H,5-9,16H2/t10-,14+/m0/s1
InChIKeyDOOAEYGCSVCQDK-IINYFYTJSA-N
XLogP2.19
TPSA45.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze (2S,12bR)-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-2-amine with MolForge

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Related Compounds

1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-2-yl benzoate
CID 163638999
(12bS)-N-benzyl-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-2-amine
CID 90675248
N-[2-[[(2S,12bR)-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-2-yl]amino]ethyl]methanesulfonamide
CID 54046403
N-[(2R,12bS)-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-2-yl]-2-methylbenzamide
CID 90675258
N-[2-[1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-2-yl(ethylsulfonyl)amino]ethyl]ethanesulfonamide
CID 21283650
(1S,15R,18S,19S,20S)-19-(hydroxymethyl)-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-18-ol
CID 11023861
(2R,3Z,12bS)-2-[3-[(2R,3Z,12bS)-3-ethylidene-2,4,6,7,12,12b-hexahydro-1H-indolo[2,3-a]quinolizin-2-yl]cyclopentyl]-3-ethylidene-2,4,6,7,12,12b-hexahydro-1H-indolo[2,3-a]quinolizine
CID 101208726
(1R,12bR)-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-1-ol
CID 12868332
17,18,19-trimethyl-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban
CID 20703681
ethane;2-methyl-1,2,5,6,11,11b-hexahydroindolizino[8,7-b]indol-3-one
CID 142977493
[(1S,15S,20S)-1,3,11,12,14,15,16,17,20,21-decahydroyohimban-19-yl]methanol
CID 11324299
1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylic acid
CID 21223288

Frequently Asked Questions

What is the IUPAC name of (2S,12bR)-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-2-amine?
The IUPAC name of (2S,12bR)-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-2-amine (CID 129405284) is (2S,12bR)-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-2-amine.
What is the SMILES notation for (2S,12bR)-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-2-amine?
The canonical SMILES for (2S,12bR)-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-2-amine is N[C@H]1CCN2CCc3c([nH]c4ccccc34)[C@H]2C1.
What is the InChIKey of (2S,12bR)-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-2-amine?
The InChIKey is DOOAEYGCSVCQDK-IINYFYTJSA-N. The full InChI is InChI=1S/C15H19N3/c16-10-5-7-18-8-6-12-11-3-1-2-4-13(11)17-15(12)14(18)9-10/h1-4,10,14,17H,5-9,16H2/t10-,14+/m0/s1.
What are the key properties of (2S,12bR)-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-2-amine?
(2S,12bR)-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-2-amine has a molecular weight of 241.34 g/mol, XLogP of 2.19, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,12bR)-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-2-amine is sourced from PubChem (CID 129405284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).