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

C18H28N+ — CID 58291551

IUPAC6,6,8-trimethyl-1,9-di(propan-2-ylidene)-3,4-dihydro-2H-quinolizin-5-ium
SMILESCC1=CC([N+]2=C(C1=C(C)C)C(=C(C)C)CCC2)(C)C
InChIInChI=1S/C18H28N/c1-12(2)15-9-8-10-19-17(15)16(13(3)4)14(5)11-18(19,6)7/h11H,8-10H2,1-7H3/q+1
InChIKeyKFHDQWYLBRJVBF-UHFFFAOYSA-N
MW258.40 g/mol
LogP4.10
Rot. Bonds

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

6,6,8-trimethyl-1,9-di(propan-2-ylidene)-3,4-dihydro-2H-quinolizin-5-ium (PubChem CID 58291551) has the molecular formula C18H28N+ and a molecular weight of 258.40 g/mol. Its IUPAC name is 6,6,8-trimethyl-1,9-di(propan-2-ylidene)-3,4-dihydro-2H-quinolizin-5-ium.

Molecular Properties

Compound Name6,6,8-trimethyl-1,9-di(propan-2-ylidene)-3,4-dihydro-2H-quinolizin-5-ium
PubChem CID58291551
Molecular FormulaC18H28N+
Molecular Weight258.40 g/mol
Exact Mass258.22
IUPAC Name6,6,8-trimethyl-1,9-di(propan-2-ylidene)-3,4-dihydro-2H-quinolizin-5-ium
SMILESCC1=CC([N+]2=C(C1=C(C)C)C(=C(C)C)CCC2)(C)C
InChIInChI=1S/C18H28N/c1-12(2)15-9-8-10-19-17(15)16(13(3)4)14(5)11-18(19,6)7/h11H,8-10H2,1-7H3/q+1
InChIKeyKFHDQWYLBRJVBF-UHFFFAOYSA-N
XLogP4.10
TPSA3.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms19
Complexity528

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.40
LogP ≤ 54.10
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 6,6,8-trimethyl-1,9-di(propan-2-ylidene)-3,4-dihydro-2H-quinolizin-5-ium?
The IUPAC name of 6,6,8-trimethyl-1,9-di(propan-2-ylidene)-3,4-dihydro-2H-quinolizin-5-ium (CID 58291551) is 6,6,8-trimethyl-1,9-di(propan-2-ylidene)-3,4-dihydro-2H-quinolizin-5-ium.
What is the SMILES notation for 6,6,8-trimethyl-1,9-di(propan-2-ylidene)-3,4-dihydro-2H-quinolizin-5-ium?
The canonical SMILES for 6,6,8-trimethyl-1,9-di(propan-2-ylidene)-3,4-dihydro-2H-quinolizin-5-ium is CC1=CC([N+]2=C(C1=C(C)C)C(=C(C)C)CCC2)(C)C.
What is the InChIKey of 6,6,8-trimethyl-1,9-di(propan-2-ylidene)-3,4-dihydro-2H-quinolizin-5-ium?
The InChIKey is KFHDQWYLBRJVBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N/c1-12(2)15-9-8-10-19-17(15)16(13(3)4)14(5)11-18(19,6)7/h11H,8-10H2,1-7H3/q+1.
What are the key properties of 6,6,8-trimethyl-1,9-di(propan-2-ylidene)-3,4-dihydro-2H-quinolizin-5-ium?
6,6,8-trimethyl-1,9-di(propan-2-ylidene)-3,4-dihydro-2H-quinolizin-5-ium has a molecular weight of 258.40 g/mol, XLogP of 4.10, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6,8-trimethyl-1,9-di(propan-2-ylidene)-3,4-dihydro-2H-quinolizin-5-ium is sourced from PubChem (CID 58291551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).