4-methyl-9-propyl-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizine

C17H25N — CID 58155453

IUPAC4-methyl-9-propyl-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizine
SMILESCCCc1ccc2c(c1)CCN1C(C)CCCC21
InChIInChI=1S/C17H25N/c1-3-5-14-8-9-16-15(12-14)10-11-18-13(2)6-4-7-17(16)18/h8-9,12-13,17H,3-7,10-11H2,1-2H3
InChIKeyTXQOWSYLLYQDHA-UHFFFAOYSA-N
MW243.39 g/mol
LogP4.11
Rot. Bonds2

About 4-methyl-9-propyl-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizine

4-methyl-9-propyl-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizine (PubChem CID 58155453) has the molecular formula C17H25N and a molecular weight of 243.39 g/mol. Its IUPAC name is 4-methyl-9-propyl-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizine.

Molecular Properties

Compound Name4-methyl-9-propyl-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizine
PubChem CID58155453
Molecular FormulaC17H25N
Molecular Weight243.39 g/mol
Exact Mass243.20
IUPAC Name4-methyl-9-propyl-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizine
SMILESCCCc1ccc2c(c1)CCN1C(C)CCCC21
InChIInChI=1S/C17H25N/c1-3-5-14-8-9-16-15(12-14)10-11-18-13(2)6-4-7-17(16)18/h8-9,12-13,17H,3-7,10-11H2,1-2H3
InChIKeyTXQOWSYLLYQDHA-UHFFFAOYSA-N
XLogP4.11
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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2-methyl-1-[(3-propylphenyl)methyl]pyrrolidine
CID 171523670
N-ethyl-7-propyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 62737677
1-methyl-5-propyl-2,3-dihydroindole
CID 89046240
3-propyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol
CID 62736189
3-propylbicyclo[4.2.0]octa-1(6),2,4-triene
CID 59134563
3-hexyl-5,6,9,10,11,12,13,13a-octahydroisoquinolino[2,1-g][1,6]naphthyridin-8-one
CID 19748117
(2-ethyl-1-methyl-3,4-dihydro-1H-isoquinolin-6-yl)methanol
CID 83956657
2,7-dipropyl-9,10-dihydrophenanthrene
CID 159085021
(8aS,12aR,13aR)-3-hexyl-6,8,8a,9,10,11,12,12a,13,13a-decahydro-5H-isoquinolino[2,1-g][1,6]naphthyridine
CID 57179195
1-(2,5-dimethylpiperidin-1-yl)-2,3-dihydro-1H-inden-5-amine
CID 79741366
2-(2,6-dimethylpiperidin-1-yl)-1-(4-propylphenyl)ethanone
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Frequently Asked Questions

What is the IUPAC name of 4-methyl-9-propyl-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizine?
The IUPAC name of 4-methyl-9-propyl-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizine (CID 58155453) is 4-methyl-9-propyl-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizine.
What is the SMILES notation for 4-methyl-9-propyl-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizine?
The canonical SMILES for 4-methyl-9-propyl-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizine is CCCc1ccc2c(c1)CCN1C(C)CCCC21.
What is the InChIKey of 4-methyl-9-propyl-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizine?
The InChIKey is TXQOWSYLLYQDHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N/c1-3-5-14-8-9-16-15(12-14)10-11-18-13(2)6-4-7-17(16)18/h8-9,12-13,17H,3-7,10-11H2,1-2H3.
What are the key properties of 4-methyl-9-propyl-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizine?
4-methyl-9-propyl-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizine has a molecular weight of 243.39 g/mol, XLogP of 4.11, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-9-propyl-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizine is sourced from PubChem (CID 58155453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).