8-ethyl-6,6-dimethyl-1,9-di(propan-2-ylidene)-3,4-dihydro-2H-quinolizin-5-ium

C19H30N+ — CID 58291554

IUPAC8-ethyl-6,6-dimethyl-1,9-di(propan-2-ylidene)-3,4-dihydro-2H-quinolizin-5-ium
SMILESCCC1=CC(C)(C)[N+]2=C(C(=C(C)C)CCC2)C1=C(C)C
InChIInChI=1S/C19H30N/c1-8-15-12-19(6,7)20-11-9-10-16(13(2)3)18(20)17(15)14(4)5/h12H,8-11H2,1-7H3/q+1
InChIKeySTVFVNZJJHFECQ-UHFFFAOYSA-N
MW272.46 g/mol
LogP5.04
Rot. Bonds1

About 8-ethyl-6,6-dimethyl-1,9-di(propan-2-ylidene)-3,4-dihydro-2H-quinolizin-5-ium

8-ethyl-6,6-dimethyl-1,9-di(propan-2-ylidene)-3,4-dihydro-2H-quinolizin-5-ium (PubChem CID 58291554) has the molecular formula C19H30N+ and a molecular weight of 272.46 g/mol. Its IUPAC name is 8-ethyl-6,6-dimethyl-1,9-di(propan-2-ylidene)-3,4-dihydro-2H-quinolizin-5-ium.

Molecular Properties

Compound Name8-ethyl-6,6-dimethyl-1,9-di(propan-2-ylidene)-3,4-dihydro-2H-quinolizin-5-ium
PubChem CID58291554
Molecular FormulaC19H30N+
Molecular Weight272.46 g/mol
Exact Mass272.24
IUPAC Name8-ethyl-6,6-dimethyl-1,9-di(propan-2-ylidene)-3,4-dihydro-2H-quinolizin-5-ium
SMILESCCC1=CC(C)(C)[N+]2=C(C(=C(C)C)CCC2)C1=C(C)C
InChIInChI=1S/C19H30N/c1-8-15-12-19(6,7)20-11-9-10-16(13(2)3)18(20)17(15)14(4)5/h12H,8-11H2,1-7H3/q+1
InChIKeySTVFVNZJJHFECQ-UHFFFAOYSA-N
XLogP5.04
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.46
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-ethyl-6,6-dimethyl-1,9-di(propan-2-ylidene)-3,4-dihydro-2H-quinolizin-5-ium?
The IUPAC name of 8-ethyl-6,6-dimethyl-1,9-di(propan-2-ylidene)-3,4-dihydro-2H-quinolizin-5-ium (CID 58291554) is 8-ethyl-6,6-dimethyl-1,9-di(propan-2-ylidene)-3,4-dihydro-2H-quinolizin-5-ium.
What is the SMILES notation for 8-ethyl-6,6-dimethyl-1,9-di(propan-2-ylidene)-3,4-dihydro-2H-quinolizin-5-ium?
The canonical SMILES for 8-ethyl-6,6-dimethyl-1,9-di(propan-2-ylidene)-3,4-dihydro-2H-quinolizin-5-ium is CCC1=CC(C)(C)[N+]2=C(C(=C(C)C)CCC2)C1=C(C)C.
What is the InChIKey of 8-ethyl-6,6-dimethyl-1,9-di(propan-2-ylidene)-3,4-dihydro-2H-quinolizin-5-ium?
The InChIKey is STVFVNZJJHFECQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N/c1-8-15-12-19(6,7)20-11-9-10-16(13(2)3)18(20)17(15)14(4)5/h12H,8-11H2,1-7H3/q+1.
What are the key properties of 8-ethyl-6,6-dimethyl-1,9-di(propan-2-ylidene)-3,4-dihydro-2H-quinolizin-5-ium?
8-ethyl-6,6-dimethyl-1,9-di(propan-2-ylidene)-3,4-dihydro-2H-quinolizin-5-ium has a molecular weight of 272.46 g/mol, XLogP of 5.04, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-6,6-dimethyl-1,9-di(propan-2-ylidene)-3,4-dihydro-2H-quinolizin-5-ium is sourced from PubChem (CID 58291554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).