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

C14H19ClN2 — CID 10467315

IUPAC(11R,11aR)-7-chloro-N-methyl-2,3,4,6,11,11a-hexahydro-1H-benzo[b]quinolizin-11-amine
SMILESCN[C@@H]1c2cccc(Cl)c2CN2CCCC[C@H]12
InChIInChI=1S/C14H19ClN2/c1-16-14-10-5-4-6-12(15)11(10)9-17-8-3-2-7-13(14)17/h4-6,13-14,16H,2-3,7-9H2,1H3/t13-,14-/m1/s1
InChIKeyOVTSZDYNNHWANJ-ZIAGYGMSSA-N
MW250.77 g/mol
LogP2.97
Rot. Bonds1

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

(11R,11aR)-7-chloro-N-methyl-2,3,4,6,11,11a-hexahydro-1H-benzo[b]quinolizin-11-amine (PubChem CID 10467315) has the molecular formula C14H19ClN2 and a molecular weight of 250.77 g/mol. Its IUPAC name is (11R,11aR)-7-chloro-N-methyl-2,3,4,6,11,11a-hexahydro-1H-benzo[b]quinolizin-11-amine.

Molecular Properties

Compound Name(11R,11aR)-7-chloro-N-methyl-2,3,4,6,11,11a-hexahydro-1H-benzo[b]quinolizin-11-amine
PubChem CID10467315
Molecular FormulaC14H19ClN2
Molecular Weight250.77 g/mol
Exact Mass250.12
IUPAC Name(11R,11aR)-7-chloro-N-methyl-2,3,4,6,11,11a-hexahydro-1H-benzo[b]quinolizin-11-amine
SMILESCN[C@@H]1c2cccc(Cl)c2CN2CCCC[C@H]12
InChIInChI=1S/C14H19ClN2/c1-16-14-10-5-4-6-12(15)11(10)9-17-8-3-2-7-13(14)17/h4-6,13-14,16H,2-3,7-9H2,1H3/t13-,14-/m1/s1
InChIKeyOVTSZDYNNHWANJ-ZIAGYGMSSA-N
XLogP2.97
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.77
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (11R,11aR)-7-chloro-N-methyl-2,3,4,6,11,11a-hexahydro-1H-benzo[b]quinolizin-11-amine?
The IUPAC name of (11R,11aR)-7-chloro-N-methyl-2,3,4,6,11,11a-hexahydro-1H-benzo[b]quinolizin-11-amine (CID 10467315) is (11R,11aR)-7-chloro-N-methyl-2,3,4,6,11,11a-hexahydro-1H-benzo[b]quinolizin-11-amine.
What is the SMILES notation for (11R,11aR)-7-chloro-N-methyl-2,3,4,6,11,11a-hexahydro-1H-benzo[b]quinolizin-11-amine?
The canonical SMILES for (11R,11aR)-7-chloro-N-methyl-2,3,4,6,11,11a-hexahydro-1H-benzo[b]quinolizin-11-amine is CN[C@@H]1c2cccc(Cl)c2CN2CCCC[C@H]12.
What is the InChIKey of (11R,11aR)-7-chloro-N-methyl-2,3,4,6,11,11a-hexahydro-1H-benzo[b]quinolizin-11-amine?
The InChIKey is OVTSZDYNNHWANJ-ZIAGYGMSSA-N. The full InChI is InChI=1S/C14H19ClN2/c1-16-14-10-5-4-6-12(15)11(10)9-17-8-3-2-7-13(14)17/h4-6,13-14,16H,2-3,7-9H2,1H3/t13-,14-/m1/s1.
What are the key properties of (11R,11aR)-7-chloro-N-methyl-2,3,4,6,11,11a-hexahydro-1H-benzo[b]quinolizin-11-amine?
(11R,11aR)-7-chloro-N-methyl-2,3,4,6,11,11a-hexahydro-1H-benzo[b]quinolizin-11-amine has a molecular weight of 250.77 g/mol, XLogP of 2.97, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (11R,11aR)-7-chloro-N-methyl-2,3,4,6,11,11a-hexahydro-1H-benzo[b]quinolizin-11-amine is sourced from PubChem (CID 10467315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).