2,11-dimethyl-2,6,7,10-tetrahydrocyclohepta[a]quinolizine

C16H19N — CID 123187782

IUPAC2,11-dimethyl-2,6,7,10-tetrahydrocyclohepta[a]quinolizine
SMILESCC1=CC2=C(C=CC1)CCN1C=CC(C)C=C21
InChIInChI=1S/C16H19N/c1-12-4-3-5-14-7-9-17-8-6-13(2)11-16(17)15(14)10-12/h3,5-6,8,10-11,13H,4,7,9H2,1-2H3
InChIKeyUCOUYGRGAUGJLL-UHFFFAOYSA-N
MW225.33 g/mol
LogP3.94
Rot. Bonds

About 2,11-dimethyl-2,6,7,10-tetrahydrocyclohepta[a]quinolizine

2,11-dimethyl-2,6,7,10-tetrahydrocyclohepta[a]quinolizine (PubChem CID 123187782) has the molecular formula C16H19N and a molecular weight of 225.33 g/mol. Its IUPAC name is 2,11-dimethyl-2,6,7,10-tetrahydrocyclohepta[a]quinolizine.

Molecular Properties

Compound Name2,11-dimethyl-2,6,7,10-tetrahydrocyclohepta[a]quinolizine
PubChem CID123187782
Molecular FormulaC16H19N
Molecular Weight225.33 g/mol
Exact Mass225.15
IUPAC Name2,11-dimethyl-2,6,7,10-tetrahydrocyclohepta[a]quinolizine
SMILESCC1=CC2=C(C=CC1)CCN1C=CC(C)C=C21
InChIInChI=1S/C16H19N/c1-12-4-3-5-14-7-9-17-8-6-13(2)11-16(17)15(14)10-12/h3,5-6,8,10-11,13H,4,7,9H2,1-2H3
InChIKeyUCOUYGRGAUGJLL-UHFFFAOYSA-N
XLogP3.94
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,11-dimethyl-2,6,7,10-tetrahydrocyclohepta[a]quinolizine?
The IUPAC name of 2,11-dimethyl-2,6,7,10-tetrahydrocyclohepta[a]quinolizine (CID 123187782) is 2,11-dimethyl-2,6,7,10-tetrahydrocyclohepta[a]quinolizine.
What is the SMILES notation for 2,11-dimethyl-2,6,7,10-tetrahydrocyclohepta[a]quinolizine?
The canonical SMILES for 2,11-dimethyl-2,6,7,10-tetrahydrocyclohepta[a]quinolizine is CC1=CC2=C(C=CC1)CCN1C=CC(C)C=C21.
What is the InChIKey of 2,11-dimethyl-2,6,7,10-tetrahydrocyclohepta[a]quinolizine?
The InChIKey is UCOUYGRGAUGJLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N/c1-12-4-3-5-14-7-9-17-8-6-13(2)11-16(17)15(14)10-12/h3,5-6,8,10-11,13H,4,7,9H2,1-2H3.
What are the key properties of 2,11-dimethyl-2,6,7,10-tetrahydrocyclohepta[a]quinolizine?
2,11-dimethyl-2,6,7,10-tetrahydrocyclohepta[a]quinolizine has a molecular weight of 225.33 g/mol, XLogP of 3.94, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,11-dimethyl-2,6,7,10-tetrahydrocyclohepta[a]quinolizine is sourced from PubChem (CID 123187782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).