(2R,4S,9aS)-2,4-dimethyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine

C11H21N — CID 10464697

IUPAC(2R,4S,9aS)-2,4-dimethyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine
SMILESC[C@H]1C[C@@H]2CCCCN2[C@@H](C)C1
InChIInChI=1S/C11H21N/c1-9-7-10(2)12-6-4-3-5-11(12)8-9/h9-11H,3-8H2,1-2H3/t9-,10+,11+/m1/s1
InChIKeyKXIIYBCOPLMAKO-VWYCJHECSA-N
MW167.30 g/mol
LogP2.66
Rot. Bonds

About (2R,4S,9aS)-2,4-dimethyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine

(2R,4S,9aS)-2,4-dimethyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine (PubChem CID 10464697) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is (2R,4S,9aS)-2,4-dimethyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine.

Molecular Properties

Compound Name(2R,4S,9aS)-2,4-dimethyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine
PubChem CID10464697
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name(2R,4S,9aS)-2,4-dimethyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine
SMILESC[C@H]1C[C@@H]2CCCCN2[C@@H](C)C1
InChIInChI=1S/C11H21N/c1-9-7-10(2)12-6-4-3-5-11(12)8-9/h9-11H,3-8H2,1-2H3/t9-,10+,11+/m1/s1
InChIKeyKXIIYBCOPLMAKO-VWYCJHECSA-N
XLogP2.66
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (2R,4S,9aS)-2,4-dimethyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R,4S,9aS)-2,4-dimethyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine?
The IUPAC name of (2R,4S,9aS)-2,4-dimethyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine (CID 10464697) is (2R,4S,9aS)-2,4-dimethyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine.
What is the SMILES notation for (2R,4S,9aS)-2,4-dimethyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine?
The canonical SMILES for (2R,4S,9aS)-2,4-dimethyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine is C[C@H]1C[C@@H]2CCCCN2[C@@H](C)C1.
What is the InChIKey of (2R,4S,9aS)-2,4-dimethyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine?
The InChIKey is KXIIYBCOPLMAKO-VWYCJHECSA-N. The full InChI is InChI=1S/C11H21N/c1-9-7-10(2)12-6-4-3-5-11(12)8-9/h9-11H,3-8H2,1-2H3/t9-,10+,11+/m1/s1.
What are the key properties of (2R,4S,9aS)-2,4-dimethyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine?
(2R,4S,9aS)-2,4-dimethyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine has a molecular weight of 167.30 g/mol, XLogP of 2.66, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S,9aS)-2,4-dimethyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine is sourced from PubChem (CID 10464697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).