2-tert-butyl-1-methyl-6-methylidenequinolizine

C15H19N — CID 20676968

IUPAC2-tert-butyl-1-methyl-6-methylidenequinolizine
SMILESC=C1C=CC=C2C(C)=C(C(C)(C)C)C=CN12
InChIInChI=1S/C15H19N/c1-11-7-6-8-14-12(2)13(15(3,4)5)9-10-16(11)14/h6-10H,1H2,2-5H3
InChIKeyAULQHQLREHBZRD-UHFFFAOYSA-N
MW213.32 g/mol
LogP4.15
Rot. Bonds

About 2-tert-butyl-1-methyl-6-methylidenequinolizine

2-tert-butyl-1-methyl-6-methylidenequinolizine (PubChem CID 20676968) has the molecular formula C15H19N and a molecular weight of 213.32 g/mol. Its IUPAC name is 2-tert-butyl-1-methyl-6-methylidenequinolizine.

Molecular Properties

Compound Name2-tert-butyl-1-methyl-6-methylidenequinolizine
PubChem CID20676968
Molecular FormulaC15H19N
Molecular Weight213.32 g/mol
Exact Mass213.15
IUPAC Name2-tert-butyl-1-methyl-6-methylidenequinolizine
SMILESC=C1C=CC=C2C(C)=C(C(C)(C)C)C=CN12
InChIInChI=1S/C15H19N/c1-11-7-6-8-14-12(2)13(15(3,4)5)9-10-16(11)14/h6-10H,1H2,2-5H3
InChIKeyAULQHQLREHBZRD-UHFFFAOYSA-N
XLogP4.15
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1-methyl-6-methylidenequinolizine?
The IUPAC name of 2-tert-butyl-1-methyl-6-methylidenequinolizine (CID 20676968) is 2-tert-butyl-1-methyl-6-methylidenequinolizine.
What is the SMILES notation for 2-tert-butyl-1-methyl-6-methylidenequinolizine?
The canonical SMILES for 2-tert-butyl-1-methyl-6-methylidenequinolizine is C=C1C=CC=C2C(C)=C(C(C)(C)C)C=CN12.
What is the InChIKey of 2-tert-butyl-1-methyl-6-methylidenequinolizine?
The InChIKey is AULQHQLREHBZRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N/c1-11-7-6-8-14-12(2)13(15(3,4)5)9-10-16(11)14/h6-10H,1H2,2-5H3.
What are the key properties of 2-tert-butyl-1-methyl-6-methylidenequinolizine?
2-tert-butyl-1-methyl-6-methylidenequinolizine has a molecular weight of 213.32 g/mol, XLogP of 4.15, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1-methyl-6-methylidenequinolizine is sourced from PubChem (CID 20676968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).