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

C15H25N — CID 13257835

IUPAC3,11b-dimethyl-1,2,3,4,6,7,8,9,10,11-decahydrobenzo[a]quinolizine
SMILESCC1CCC2(C)C3=C(CCCC3)CCN2C1
InChIInChI=1S/C15H25N/c1-12-7-9-15(2)14-6-4-3-5-13(14)8-10-16(15)11-12/h12H,3-11H2,1-2H3
InChIKeyVVFRNCRIUGQNSU-UHFFFAOYSA-N
MW219.37 g/mol
LogP3.75
Rot. Bonds

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

3,11b-dimethyl-1,2,3,4,6,7,8,9,10,11-decahydrobenzo[a]quinolizine (PubChem CID 13257835) has the molecular formula C15H25N and a molecular weight of 219.37 g/mol. Its IUPAC name is 3,11b-dimethyl-1,2,3,4,6,7,8,9,10,11-decahydrobenzo[a]quinolizine.

Molecular Properties

Compound Name3,11b-dimethyl-1,2,3,4,6,7,8,9,10,11-decahydrobenzo[a]quinolizine
PubChem CID13257835
Molecular FormulaC15H25N
Molecular Weight219.37 g/mol
Exact Mass219.20
IUPAC Name3,11b-dimethyl-1,2,3,4,6,7,8,9,10,11-decahydrobenzo[a]quinolizine
SMILESCC1CCC2(C)C3=C(CCCC3)CCN2C1
InChIInChI=1S/C15H25N/c1-12-7-9-15(2)14-6-4-3-5-13(14)8-10-16(15)11-12/h12H,3-11H2,1-2H3
InChIKeyVVFRNCRIUGQNSU-UHFFFAOYSA-N
XLogP3.75
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.37
LogP ≤ 53.75
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 3,11b-dimethyl-1,2,3,4,6,7,8,9,10,11-decahydrobenzo[a]quinolizine?
The IUPAC name of 3,11b-dimethyl-1,2,3,4,6,7,8,9,10,11-decahydrobenzo[a]quinolizine (CID 13257835) is 3,11b-dimethyl-1,2,3,4,6,7,8,9,10,11-decahydrobenzo[a]quinolizine.
What is the SMILES notation for 3,11b-dimethyl-1,2,3,4,6,7,8,9,10,11-decahydrobenzo[a]quinolizine?
The canonical SMILES for 3,11b-dimethyl-1,2,3,4,6,7,8,9,10,11-decahydrobenzo[a]quinolizine is CC1CCC2(C)C3=C(CCCC3)CCN2C1.
What is the InChIKey of 3,11b-dimethyl-1,2,3,4,6,7,8,9,10,11-decahydrobenzo[a]quinolizine?
The InChIKey is VVFRNCRIUGQNSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N/c1-12-7-9-15(2)14-6-4-3-5-13(14)8-10-16(15)11-12/h12H,3-11H2,1-2H3.
What are the key properties of 3,11b-dimethyl-1,2,3,4,6,7,8,9,10,11-decahydrobenzo[a]quinolizine?
3,11b-dimethyl-1,2,3,4,6,7,8,9,10,11-decahydrobenzo[a]quinolizine has a molecular weight of 219.37 g/mol, XLogP of 3.75, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,11b-dimethyl-1,2,3,4,6,7,8,9,10,11-decahydrobenzo[a]quinolizine is sourced from PubChem (CID 13257835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).