2-methyl-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizine

C14H19N — CID 135003203

IUPAC2-methyl-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizine
SMILESCC1CCN2CCc3ccccc3C2C1
InChIInChI=1S/C14H19N/c1-11-6-8-15-9-7-12-4-2-3-5-13(12)14(15)10-11/h2-5,11,14H,6-10H2,1H3
InChIKeyYWUJRUMLZLJTEW-UHFFFAOYSA-N
MW201.31 g/mol
LogP3.02
Rot. Bonds

About 2-methyl-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizine

2-methyl-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizine (PubChem CID 135003203) has the molecular formula C14H19N and a molecular weight of 201.31 g/mol. Its IUPAC name is 2-methyl-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizine.

Molecular Properties

Compound Name2-methyl-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizine
PubChem CID135003203
Molecular FormulaC14H19N
Molecular Weight201.31 g/mol
Exact Mass201.15
IUPAC Name2-methyl-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizine
SMILESCC1CCN2CCc3ccccc3C2C1
InChIInChI=1S/C14H19N/c1-11-6-8-15-9-7-12-4-2-3-5-13(12)14(15)10-11/h2-5,11,14H,6-10H2,1H3
InChIKeyYWUJRUMLZLJTEW-UHFFFAOYSA-N
XLogP3.02
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2R,11bR)-2-chloro-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizine
CID 86337762
(2R,11bS)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-amine
CID 12940176
(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
(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
N-[2-[[(2R,11bS)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]amino]ethyl]methanesulfonamide
CID 70412322
N-[(2R,11bS)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]-N,3-dimethylbutanamide
CID 14107044
N-(2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl)-4-chloro-N-methylbenzenesulfonamide
CID 12783194
1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine
CID 122364481
N-[(2R,11bS)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]-N-methylthiophene-3-sulfonamide
CID 14107029
1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine
CID 141000985

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizine?
The IUPAC name of 2-methyl-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizine (CID 135003203) is 2-methyl-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizine.
What is the SMILES notation for 2-methyl-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizine?
The canonical SMILES for 2-methyl-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizine is CC1CCN2CCc3ccccc3C2C1.
What is the InChIKey of 2-methyl-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizine?
The InChIKey is YWUJRUMLZLJTEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N/c1-11-6-8-15-9-7-12-4-2-3-5-13(12)14(15)10-11/h2-5,11,14H,6-10H2,1H3.
What are the key properties of 2-methyl-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizine?
2-methyl-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizine has a molecular weight of 201.31 g/mol, XLogP of 3.02, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizine is sourced from PubChem (CID 135003203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).