2-(cyclopropylmethyl)-6,6,7-triethyl-7-methyl-4H-benzo[a]quinolizine

C24H33N — CID 123695909

IUPAC2-(cyclopropylmethyl)-6,6,7-triethyl-7-methyl-4H-benzo[a]quinolizine
SMILESCCC1(C)c2ccccc2C2=CC(CC3CC3)=CCN2C1(CC)CC
InChIInChI=1S/C24H33N/c1-5-23(4)21-11-9-8-10-20(21)22-17-19(16-18-12-13-18)14-15-25(22)24(23,6-2)7-3/h8-11,14,17-18H,5-7,12-13,15-16H2,1-4H3
InChIKeyBPQLUSXDYBCYOL-UHFFFAOYSA-N
MW335.53 g/mol
LogP6.31
Rot. Bonds5

About 2-(cyclopropylmethyl)-6,6,7-triethyl-7-methyl-4H-benzo[a]quinolizine

2-(cyclopropylmethyl)-6,6,7-triethyl-7-methyl-4H-benzo[a]quinolizine (PubChem CID 123695909) has the molecular formula C24H33N and a molecular weight of 335.53 g/mol. Its IUPAC name is 2-(cyclopropylmethyl)-6,6,7-triethyl-7-methyl-4H-benzo[a]quinolizine.

Molecular Properties

Compound Name2-(cyclopropylmethyl)-6,6,7-triethyl-7-methyl-4H-benzo[a]quinolizine
PubChem CID123695909
Molecular FormulaC24H33N
Molecular Weight335.53 g/mol
Exact Mass335.26
IUPAC Name2-(cyclopropylmethyl)-6,6,7-triethyl-7-methyl-4H-benzo[a]quinolizine
SMILESCCC1(C)c2ccccc2C2=CC(CC3CC3)=CCN2C1(CC)CC
InChIInChI=1S/C24H33N/c1-5-23(4)21-11-9-8-10-20(21)22-17-19(16-18-12-13-18)14-15-25(22)24(23,6-2)7-3/h8-11,14,17-18H,5-7,12-13,15-16H2,1-4H3
InChIKeyBPQLUSXDYBCYOL-UHFFFAOYSA-N
XLogP6.31
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.53
LogP ≤ 56.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 164528811
1-(cyclopropylmethyl)-4-methyl-4-(2-propylphenyl)piperidine
CID 138749021
1-cyclohexyl-5-ethenyl-5,6-diethyl-3,6-dimethyl-[1,2,4]triazolo[3,4-a]isoquinolin-4-ium
CID 123479657
1-(2,6-dicyclopentyl-4-phenylphenyl)-5,6-diethyl-5,6-dimethyl-2,3-dihydroimidazo[2,1-a]isoquinolin-4-ium
CID 123148078
8,9,14-triethyl-8,9-dimethyl-14-azoniatricyclo[8.3.1.02,7]tetradeca-1(14),2,4,6,10,12-hexaene
CID 123387746
(9-ethylfluoren-9-yl)methanethiol
CID 167224564
1-[4-ethyl-1-(2-propylphenyl)cyclohexyl]-2-propylbenzene
CID 22420606
7-butyl-20,21-diethyl-5,5,8,8,12,20,21-heptamethyl-1-aza-12-azoniapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-2(11),3,9,12,14,16,18-heptaene
CID 123680402
6,12-diethyl-6,12-dimethylindeno[1,2-b]fluorene
CID 144770955
propane;spiro[fluorene-9,3'-oxetane]
CID 144874508
cyclopropylmethylbenzene;ethane;methane
CID 142248267
2-(cyclopropylmethyl)aniline
CID 55285261

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethyl)-6,6,7-triethyl-7-methyl-4H-benzo[a]quinolizine?
The IUPAC name of 2-(cyclopropylmethyl)-6,6,7-triethyl-7-methyl-4H-benzo[a]quinolizine (CID 123695909) is 2-(cyclopropylmethyl)-6,6,7-triethyl-7-methyl-4H-benzo[a]quinolizine.
What is the SMILES notation for 2-(cyclopropylmethyl)-6,6,7-triethyl-7-methyl-4H-benzo[a]quinolizine?
The canonical SMILES for 2-(cyclopropylmethyl)-6,6,7-triethyl-7-methyl-4H-benzo[a]quinolizine is CCC1(C)c2ccccc2C2=CC(CC3CC3)=CCN2C1(CC)CC.
What is the InChIKey of 2-(cyclopropylmethyl)-6,6,7-triethyl-7-methyl-4H-benzo[a]quinolizine?
The InChIKey is BPQLUSXDYBCYOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N/c1-5-23(4)21-11-9-8-10-20(21)22-17-19(16-18-12-13-18)14-15-25(22)24(23,6-2)7-3/h8-11,14,17-18H,5-7,12-13,15-16H2,1-4H3.
What are the key properties of 2-(cyclopropylmethyl)-6,6,7-triethyl-7-methyl-4H-benzo[a]quinolizine?
2-(cyclopropylmethyl)-6,6,7-triethyl-7-methyl-4H-benzo[a]quinolizine has a molecular weight of 335.53 g/mol, XLogP of 6.31, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethyl)-6,6,7-triethyl-7-methyl-4H-benzo[a]quinolizine is sourced from PubChem (CID 123695909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).