dipropyl-[(4R)-6,7,8-trimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-4-yl]azanium

C18H32N2O3+2 — CID 9170005

IUPACdipropyl-[(4R)-6,7,8-trimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-4-yl]azanium
SMILESCCC[NH+](CCC)[C@H]1C[NH2+]Cc2c1cc(OC)c(OC)c2OC
InChIInChI=1S/C18H30N2O3/c1-6-8-20(9-7-2)15-12-19-11-14-13(15)10-16(21-3)18(23-5)17(14)22-4/h10,15,19H,6-9,11-12H2,1-5H3/p+2/t15-/m0/s1
InChIKeyZCYCPALGTVSGEP-HNNXBMFYSA-P
MW324.47 g/mol
LogP0.54
Rot. Bonds8

About dipropyl-[(4R)-6,7,8-trimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-4-yl]azanium

dipropyl-[(4R)-6,7,8-trimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-4-yl]azanium (PubChem CID 9170005) has the molecular formula C18H32N2O3+2 and a molecular weight of 324.47 g/mol. Its IUPAC name is dipropyl-[(4R)-6,7,8-trimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-4-yl]azanium.

Molecular Properties

Compound Namedipropyl-[(4R)-6,7,8-trimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-4-yl]azanium
PubChem CID9170005
Molecular FormulaC18H32N2O3+2
Molecular Weight324.47 g/mol
Exact Mass324.24
IUPAC Namedipropyl-[(4R)-6,7,8-trimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-4-yl]azanium
SMILESCCC[NH+](CCC)[C@H]1C[NH2+]Cc2c1cc(OC)c(OC)c2OC
InChIInChI=1S/C18H30N2O3/c1-6-8-20(9-7-2)15-12-19-11-14-13(15)10-16(21-3)18(23-5)17(14)22-4/h10,15,19H,6-9,11-12H2,1-5H3/p+2/t15-/m0/s1
InChIKeyZCYCPALGTVSGEP-HNNXBMFYSA-P
XLogP0.54
TPSA48.74 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze dipropyl-[(4R)-6,7,8-trimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-4-yl]azanium with MolForge

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Launch Full Analysis

Related Compounds

(4R)-4-(4-ethylpiperazine-1,4-diium-1-yl)-6,7,8-trimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium
CID 9170025
[(4R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-4-yl]-diethylazanium
CID 9169728
(4S)-6,7,8-trimethoxy-4-pyrrolidin-1-ium-1-yl-1,2,3,4-tetrahydroisoquinolin-2-ium
CID 9170031
(4S)-5,6,7-trimethoxy-4-(4-propylpiperazine-1,4-diium-1-yl)-1,2,3,4-tetrahydroisoquinolin-2-ium
CID 9169966
(4R)-5,6,7-trimethoxy-4-(4-propylpiperazine-1,4-diium-1-yl)-1,2,3,4-tetrahydroisoquinolin-2-ium
CID 9169968
N-ethyl-5,6,7-trimethoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 55109328
butyl-methyl-[(3,4,5-trimethoxyphenyl)methyl]azanium
CID 7317677
N-ethyl-1,2,3-trimethoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 62738031
5,6,7-trimethoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 55109327
(1R)-5,6,7-trimethoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79014185
(1R,2R)-2-amino-4,5,6-trimethoxy-2,3-dihydro-1H-inden-1-ol
CID 54139866
(1R,2R)-4,5,6-trimethoxy-2-(octylamino)-2,3-dihydro-1H-inden-1-ol
CID 54480490

Frequently Asked Questions

What is the IUPAC name of dipropyl-[(4R)-6,7,8-trimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-4-yl]azanium?
The IUPAC name of dipropyl-[(4R)-6,7,8-trimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-4-yl]azanium (CID 9170005) is dipropyl-[(4R)-6,7,8-trimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-4-yl]azanium.
What is the SMILES notation for dipropyl-[(4R)-6,7,8-trimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-4-yl]azanium?
The canonical SMILES for dipropyl-[(4R)-6,7,8-trimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-4-yl]azanium is CCC[NH+](CCC)[C@H]1C[NH2+]Cc2c1cc(OC)c(OC)c2OC.
What is the InChIKey of dipropyl-[(4R)-6,7,8-trimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-4-yl]azanium?
The InChIKey is ZCYCPALGTVSGEP-HNNXBMFYSA-P. The full InChI is InChI=1S/C18H30N2O3/c1-6-8-20(9-7-2)15-12-19-11-14-13(15)10-16(21-3)18(23-5)17(14)22-4/h10,15,19H,6-9,11-12H2,1-5H3/p+2/t15-/m0/s1.
What are the key properties of dipropyl-[(4R)-6,7,8-trimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-4-yl]azanium?
dipropyl-[(4R)-6,7,8-trimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-4-yl]azanium has a molecular weight of 324.47 g/mol, XLogP of 0.54, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dipropyl-[(4R)-6,7,8-trimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-4-yl]azanium is sourced from PubChem (CID 9170005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).