8,9-dimethyl-2,3,4,6,7,9a-hexahydro-1H-quinolizine

C11H19N — CID 21040113

IUPAC8,9-dimethyl-2,3,4,6,7,9a-hexahydro-1H-quinolizine
SMILESCC1=C(C)C2CCCCN2CC1
InChIInChI=1S/C11H19N/c1-9-6-8-12-7-4-3-5-11(12)10(9)2/h11H,3-8H2,1-2H3
InChIKeyUQKNUFBJUUNAHB-UHFFFAOYSA-N
MW165.28 g/mol
LogP2.58
Rot. Bonds

About 8,9-dimethyl-2,3,4,6,7,9a-hexahydro-1H-quinolizine

8,9-dimethyl-2,3,4,6,7,9a-hexahydro-1H-quinolizine (PubChem CID 21040113) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is 8,9-dimethyl-2,3,4,6,7,9a-hexahydro-1H-quinolizine.

Molecular Properties

Compound Name8,9-dimethyl-2,3,4,6,7,9a-hexahydro-1H-quinolizine
PubChem CID21040113
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name8,9-dimethyl-2,3,4,6,7,9a-hexahydro-1H-quinolizine
SMILESCC1=C(C)C2CCCCN2CC1
InChIInChI=1S/C11H19N/c1-9-6-8-12-7-4-3-5-11(12)10(9)2/h11H,3-8H2,1-2H3
InChIKeyUQKNUFBJUUNAHB-UHFFFAOYSA-N
XLogP2.58
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8,9-dimethyl-2,3,4,6,7,9a-hexahydro-1H-quinolizine?
The IUPAC name of 8,9-dimethyl-2,3,4,6,7,9a-hexahydro-1H-quinolizine (CID 21040113) is 8,9-dimethyl-2,3,4,6,7,9a-hexahydro-1H-quinolizine.
What is the SMILES notation for 8,9-dimethyl-2,3,4,6,7,9a-hexahydro-1H-quinolizine?
The canonical SMILES for 8,9-dimethyl-2,3,4,6,7,9a-hexahydro-1H-quinolizine is CC1=C(C)C2CCCCN2CC1.
What is the InChIKey of 8,9-dimethyl-2,3,4,6,7,9a-hexahydro-1H-quinolizine?
The InChIKey is UQKNUFBJUUNAHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N/c1-9-6-8-12-7-4-3-5-11(12)10(9)2/h11H,3-8H2,1-2H3.
What are the key properties of 8,9-dimethyl-2,3,4,6,7,9a-hexahydro-1H-quinolizine?
8,9-dimethyl-2,3,4,6,7,9a-hexahydro-1H-quinolizine has a molecular weight of 165.28 g/mol, XLogP of 2.58, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8,9-dimethyl-2,3,4,6,7,9a-hexahydro-1H-quinolizine is sourced from PubChem (CID 21040113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).