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

C14H20N2 — CID 12967038

IUPAC(11R,11aS)-N-methyl-2,3,4,6,11,11a-hexahydro-1H-benzo[b]quinolizin-11-amine
SMILESCN[C@@H]1c2ccccc2CN2CCCC[C@@H]12
InChIInChI=1S/C14H20N2/c1-15-14-12-7-3-2-6-11(12)10-16-9-5-4-8-13(14)16/h2-3,6-7,13-15H,4-5,8-10H2,1H3/t13-,14+/m0/s1
InChIKeyCJKKCGXOMQKQQB-UONOGXRCSA-N
MW216.33 g/mol
LogP2.32
Rot. Bonds1

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

(11R,11aS)-N-methyl-2,3,4,6,11,11a-hexahydro-1H-benzo[b]quinolizin-11-amine (PubChem CID 12967038) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is (11R,11aS)-N-methyl-2,3,4,6,11,11a-hexahydro-1H-benzo[b]quinolizin-11-amine.

Molecular Properties

Compound Name(11R,11aS)-N-methyl-2,3,4,6,11,11a-hexahydro-1H-benzo[b]quinolizin-11-amine
PubChem CID12967038
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC Name(11R,11aS)-N-methyl-2,3,4,6,11,11a-hexahydro-1H-benzo[b]quinolizin-11-amine
SMILESCN[C@@H]1c2ccccc2CN2CCCC[C@@H]12
InChIInChI=1S/C14H20N2/c1-15-14-12-7-3-2-6-11(12)10-16-9-5-4-8-13(14)16/h2-3,6-7,13-15H,4-5,8-10H2,1H3/t13-,14+/m0/s1
InChIKeyCJKKCGXOMQKQQB-UONOGXRCSA-N
XLogP2.32
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (11R,11aS)-N-methyl-2,3,4,6,11,11a-hexahydro-1H-benzo[b]quinolizin-11-amine?
The IUPAC name of (11R,11aS)-N-methyl-2,3,4,6,11,11a-hexahydro-1H-benzo[b]quinolizin-11-amine (CID 12967038) is (11R,11aS)-N-methyl-2,3,4,6,11,11a-hexahydro-1H-benzo[b]quinolizin-11-amine.
What is the SMILES notation for (11R,11aS)-N-methyl-2,3,4,6,11,11a-hexahydro-1H-benzo[b]quinolizin-11-amine?
The canonical SMILES for (11R,11aS)-N-methyl-2,3,4,6,11,11a-hexahydro-1H-benzo[b]quinolizin-11-amine is CN[C@@H]1c2ccccc2CN2CCCC[C@@H]12.
What is the InChIKey of (11R,11aS)-N-methyl-2,3,4,6,11,11a-hexahydro-1H-benzo[b]quinolizin-11-amine?
The InChIKey is CJKKCGXOMQKQQB-UONOGXRCSA-N. The full InChI is InChI=1S/C14H20N2/c1-15-14-12-7-3-2-6-11(12)10-16-9-5-4-8-13(14)16/h2-3,6-7,13-15H,4-5,8-10H2,1H3/t13-,14+/m0/s1.
What are the key properties of (11R,11aS)-N-methyl-2,3,4,6,11,11a-hexahydro-1H-benzo[b]quinolizin-11-amine?
(11R,11aS)-N-methyl-2,3,4,6,11,11a-hexahydro-1H-benzo[b]quinolizin-11-amine has a molecular weight of 216.33 g/mol, XLogP of 2.32, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (11R,11aS)-N-methyl-2,3,4,6,11,11a-hexahydro-1H-benzo[b]quinolizin-11-amine is sourced from PubChem (CID 12967038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).