6,6,8-trimethyl-9-propan-2-yl-1-propan-2-ylidene-3,4-dihydro-2H-quinolizine

C18H29N — CID 58291447

IUPAC6,6,8-trimethyl-9-propan-2-yl-1-propan-2-ylidene-3,4-dihydro-2H-quinolizine
SMILESCC1=CC(C)(C)N2CCCC(=C(C)C)C2=C1C(C)C
InChIInChI=1S/C18H29N/c1-12(2)15-9-8-10-19-17(15)16(13(3)4)14(5)11-18(19,6)7/h11,13H,8-10H2,1-7H3
InChIKeyAJXWSTJXDCCSNX-UHFFFAOYSA-N
MW259.44 g/mol
LogP5.07
Rot. Bonds1

About 6,6,8-trimethyl-9-propan-2-yl-1-propan-2-ylidene-3,4-dihydro-2H-quinolizine

6,6,8-trimethyl-9-propan-2-yl-1-propan-2-ylidene-3,4-dihydro-2H-quinolizine (PubChem CID 58291447) has the molecular formula C18H29N and a molecular weight of 259.44 g/mol. Its IUPAC name is 6,6,8-trimethyl-9-propan-2-yl-1-propan-2-ylidene-3,4-dihydro-2H-quinolizine.

Molecular Properties

Compound Name6,6,8-trimethyl-9-propan-2-yl-1-propan-2-ylidene-3,4-dihydro-2H-quinolizine
PubChem CID58291447
Molecular FormulaC18H29N
Molecular Weight259.44 g/mol
Exact Mass259.23
IUPAC Name6,6,8-trimethyl-9-propan-2-yl-1-propan-2-ylidene-3,4-dihydro-2H-quinolizine
SMILESCC1=CC(C)(C)N2CCCC(=C(C)C)C2=C1C(C)C
InChIInChI=1S/C18H29N/c1-12(2)15-9-8-10-19-17(15)16(13(3)4)14(5)11-18(19,6)7/h11,13H,8-10H2,1-7H3
InChIKeyAJXWSTJXDCCSNX-UHFFFAOYSA-N
XLogP5.07
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500259.44
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6,6,8-trimethyl-9-propan-2-yl-1-propan-2-ylidene-3,4-dihydro-2H-quinolizine?
The IUPAC name of 6,6,8-trimethyl-9-propan-2-yl-1-propan-2-ylidene-3,4-dihydro-2H-quinolizine (CID 58291447) is 6,6,8-trimethyl-9-propan-2-yl-1-propan-2-ylidene-3,4-dihydro-2H-quinolizine.
What is the SMILES notation for 6,6,8-trimethyl-9-propan-2-yl-1-propan-2-ylidene-3,4-dihydro-2H-quinolizine?
The canonical SMILES for 6,6,8-trimethyl-9-propan-2-yl-1-propan-2-ylidene-3,4-dihydro-2H-quinolizine is CC1=CC(C)(C)N2CCCC(=C(C)C)C2=C1C(C)C.
What is the InChIKey of 6,6,8-trimethyl-9-propan-2-yl-1-propan-2-ylidene-3,4-dihydro-2H-quinolizine?
The InChIKey is AJXWSTJXDCCSNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N/c1-12(2)15-9-8-10-19-17(15)16(13(3)4)14(5)11-18(19,6)7/h11,13H,8-10H2,1-7H3.
What are the key properties of 6,6,8-trimethyl-9-propan-2-yl-1-propan-2-ylidene-3,4-dihydro-2H-quinolizine?
6,6,8-trimethyl-9-propan-2-yl-1-propan-2-ylidene-3,4-dihydro-2H-quinolizine has a molecular weight of 259.44 g/mol, XLogP of 5.07, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6,8-trimethyl-9-propan-2-yl-1-propan-2-ylidene-3,4-dihydro-2H-quinolizine is sourced from PubChem (CID 58291447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).