(2R,11bS)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-amine

C13H18N2 — CID 12940176

IUPAC(2R,11bS)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-amine
SMILESN[C@@H]1CCN2CCc3ccccc3[C@@H]2C1
InChIInChI=1S/C13H18N2/c14-11-6-8-15-7-5-10-3-1-2-4-12(10)13(15)9-11/h1-4,11,13H,5-9,14H2/t11-,13+/m1/s1
InChIKeyHNIYDVDUPHDDRF-YPMHNXCESA-N
MW202.30 g/mol
LogP1.71
Rot. Bonds

About (2R,11bS)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-amine

(2R,11bS)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-amine (PubChem CID 12940176) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is (2R,11bS)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-amine.

Molecular Properties

Compound Name(2R,11bS)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-amine
PubChem CID12940176
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC Name(2R,11bS)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-amine
SMILESN[C@@H]1CCN2CCc3ccccc3[C@@H]2C1
InChIInChI=1S/C13H18N2/c14-11-6-8-15-7-5-10-3-1-2-4-12(10)13(15)9-11/h1-4,11,13H,5-9,14H2/t11-,13+/m1/s1
InChIKeyHNIYDVDUPHDDRF-YPMHNXCESA-N
XLogP1.71
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2R,11bS)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-amine with MolForge

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Related Compounds

(2R,11bR)-2-chloro-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizine
CID 86337762
2-methyl-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizine
CID 135003203
(2S,11bS)-N-phenyl-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-amine
CID 125486415
N-[(2R,11bS)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]-N-methylacetamide
CID 14107038
2,3,4,6,7,12b-hexahydro-1H-[1,3]benzodioxolo[6,5-a]quinolizin-2-amine
CID 20559728
(2R,11bS)-2-[methyl(methylsulfamoyl)amino]-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizine
CID 13217504
N-[(2R,11bS)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]ethanesulfonamide;hydrochloride
CID 45262031
1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine
CID 122364481
(2S,12bR)-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-2-amine
CID 129405284
1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine
CID 141000985
[1-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidin-4-yl]methanol
CID 110899348
1-(3,4-dihydro-2H-thiochromen-4-yl)piperidin-4-amine
CID 43130869

Frequently Asked Questions

What is the IUPAC name of (2R,11bS)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-amine?
The IUPAC name of (2R,11bS)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-amine (CID 12940176) is (2R,11bS)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-amine.
What is the SMILES notation for (2R,11bS)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-amine?
The canonical SMILES for (2R,11bS)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-amine is N[C@@H]1CCN2CCc3ccccc3[C@@H]2C1.
What is the InChIKey of (2R,11bS)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-amine?
The InChIKey is HNIYDVDUPHDDRF-YPMHNXCESA-N. The full InChI is InChI=1S/C13H18N2/c14-11-6-8-15-7-5-10-3-1-2-4-12(10)13(15)9-11/h1-4,11,13H,5-9,14H2/t11-,13+/m1/s1.
What are the key properties of (2R,11bS)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-amine?
(2R,11bS)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-amine has a molecular weight of 202.30 g/mol, XLogP of 1.71, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,11bS)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-amine is sourced from PubChem (CID 12940176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).