6,6-dimethyl-1,2,3,4,7,7a,8,9,10,11,11a,11b-dodecahydrobenzo[a]quinolizine

C15H27N — CID 3056344

IUPAC6,6-dimethyl-1,2,3,4,7,7a,8,9,10,11,11a,11b-dodecahydrobenzo[a]quinolizine
SMILESCC1(C)CC2CCCCC2C2CCCCN21
InChIInChI=1S/C15H27N/c1-15(2)11-12-7-3-4-8-13(12)14-9-5-6-10-16(14)15/h12-14H,3-11H2,1-2H3
InChIKeyZEARQHOSNUZRHD-UHFFFAOYSA-N
MW221.39 g/mol
LogP3.83
Rot. Bonds

About 6,6-dimethyl-1,2,3,4,7,7a,8,9,10,11,11a,11b-dodecahydrobenzo[a]quinolizine

6,6-dimethyl-1,2,3,4,7,7a,8,9,10,11,11a,11b-dodecahydrobenzo[a]quinolizine (PubChem CID 3056344) has the molecular formula C15H27N and a molecular weight of 221.39 g/mol. Its IUPAC name is 6,6-dimethyl-1,2,3,4,7,7a,8,9,10,11,11a,11b-dodecahydrobenzo[a]quinolizine.

Molecular Properties

Compound Name6,6-dimethyl-1,2,3,4,7,7a,8,9,10,11,11a,11b-dodecahydrobenzo[a]quinolizine
PubChem CID3056344
Molecular FormulaC15H27N
Molecular Weight221.39 g/mol
Exact Mass221.21
IUPAC Name6,6-dimethyl-1,2,3,4,7,7a,8,9,10,11,11a,11b-dodecahydrobenzo[a]quinolizine
SMILESCC1(C)CC2CCCCC2C2CCCCN21
InChIInChI=1S/C15H27N/c1-15(2)11-12-7-3-4-8-13(12)14-9-5-6-10-16(14)15/h12-14H,3-11H2,1-2H3
InChIKeyZEARQHOSNUZRHD-UHFFFAOYSA-N
XLogP3.83
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.39
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 6,6-dimethyl-1,2,3,4,7,7a,8,9,10,11,11a,11b-dodecahydrobenzo[a]quinolizine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-1,2,3,4,7,7a,8,9,10,11,11a,11b-dodecahydrobenzo[a]quinolizine?
The IUPAC name of 6,6-dimethyl-1,2,3,4,7,7a,8,9,10,11,11a,11b-dodecahydrobenzo[a]quinolizine (CID 3056344) is 6,6-dimethyl-1,2,3,4,7,7a,8,9,10,11,11a,11b-dodecahydrobenzo[a]quinolizine.
What is the SMILES notation for 6,6-dimethyl-1,2,3,4,7,7a,8,9,10,11,11a,11b-dodecahydrobenzo[a]quinolizine?
The canonical SMILES for 6,6-dimethyl-1,2,3,4,7,7a,8,9,10,11,11a,11b-dodecahydrobenzo[a]quinolizine is CC1(C)CC2CCCCC2C2CCCCN21.
What is the InChIKey of 6,6-dimethyl-1,2,3,4,7,7a,8,9,10,11,11a,11b-dodecahydrobenzo[a]quinolizine?
The InChIKey is ZEARQHOSNUZRHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N/c1-15(2)11-12-7-3-4-8-13(12)14-9-5-6-10-16(14)15/h12-14H,3-11H2,1-2H3.
What are the key properties of 6,6-dimethyl-1,2,3,4,7,7a,8,9,10,11,11a,11b-dodecahydrobenzo[a]quinolizine?
6,6-dimethyl-1,2,3,4,7,7a,8,9,10,11,11a,11b-dodecahydrobenzo[a]quinolizine has a molecular weight of 221.39 g/mol, XLogP of 3.83, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-1,2,3,4,7,7a,8,9,10,11,11a,11b-dodecahydrobenzo[a]quinolizine is sourced from PubChem (CID 3056344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).