2-methyl-1-[2-[2-(2-methyl-3,4-dihydroisoquinolin-2-ium-1-yl)ethoxy]ethyl]-3,4-dihydroisoquinolin-2-ium

C24H30N2O+2 — CID 129295178

IUPAC2-methyl-1-[2-[2-(2-methyl-3,4-dihydroisoquinolin-2-ium-1-yl)ethoxy]ethyl]-3,4-dihydroisoquinolin-2-ium
SMILESC[N+]1=C(CCOCCC2=[N+](C)CCc3ccccc32)c2ccccc2CC1
InChIInChI=1S/C24H30N2O/c1-25-15-11-19-7-3-5-9-21(19)23(25)13-17-27-18-14-24-22-10-6-4-8-20(22)12-16-26(24)2/h3-10H,11-18H2,1-2H3/q+2
InChIKeyGTQDYVBRUHSNMJ-UHFFFAOYSA-N
MW362.52 g/mol
LogP3.16
Rot. Bonds6

About 2-methyl-1-[2-[2-(2-methyl-3,4-dihydroisoquinolin-2-ium-1-yl)ethoxy]ethyl]-3,4-dihydroisoquinolin-2-ium

2-methyl-1-[2-[2-(2-methyl-3,4-dihydroisoquinolin-2-ium-1-yl)ethoxy]ethyl]-3,4-dihydroisoquinolin-2-ium (PubChem CID 129295178) has the molecular formula C24H30N2O+2 and a molecular weight of 362.52 g/mol. Its IUPAC name is 2-methyl-1-[2-[2-(2-methyl-3,4-dihydroisoquinolin-2-ium-1-yl)ethoxy]ethyl]-3,4-dihydroisoquinolin-2-ium.

Molecular Properties

Compound Name2-methyl-1-[2-[2-(2-methyl-3,4-dihydroisoquinolin-2-ium-1-yl)ethoxy]ethyl]-3,4-dihydroisoquinolin-2-ium
PubChem CID129295178
Molecular FormulaC24H30N2O+2
Molecular Weight362.52 g/mol
Exact Mass362.23
IUPAC Name2-methyl-1-[2-[2-(2-methyl-3,4-dihydroisoquinolin-2-ium-1-yl)ethoxy]ethyl]-3,4-dihydroisoquinolin-2-ium
SMILESC[N+]1=C(CCOCCC2=[N+](C)CCc3ccccc32)c2ccccc2CC1
InChIInChI=1S/C24H30N2O/c1-25-15-11-19-7-3-5-9-21(19)23(25)13-17-27-18-14-24-22-10-6-4-8-20(22)12-16-26(24)2/h3-10H,11-18H2,1-2H3/q+2
InChIKeyGTQDYVBRUHSNMJ-UHFFFAOYSA-N
XLogP3.16
TPSA15.25 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.52
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 2-methyl-1-[2-[2-(2-methyl-3,4-dihydroisoquinolin-2-ium-1-yl)ethoxy]ethyl]-3,4-dihydroisoquinolin-2-ium with MolForge

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Related Compounds

Ethanamine, N,N-diethyl-2-(2-(3,4-dihydro-3,3-dimethyl-1-isoquinolinyl)ethoxy)-, dihydrochloride
CID 3079737
N-[(2S)-1-methoxy-3-phenylpropan-2-yl]-1-phenylpropan-1-imine
CID 12696672
N-[(2S)-1-methoxy-3-phenylpropan-2-yl]-3,4-dihydro-2H-naphthalen-1-imine
CID 12712295
2-[2-(3,3-dimethyl-4H-isoquinolin-1-yl)ethoxy]-N,N-diethylethanamine
CID 3079738
4-[2-(3,3-dimethyl-4H-isoquinolin-1-yl)ethyl]morpholine
CID 3079742
1-Methoxymethyl-3,4-dihydroisoquinoline
CID 12415172
1-(Ethoxymethyl)-3,4-dihydroisoquinoline
CID 13728599
2-(1-Phenyl-3,4-dihydroisoquinolin-3-yl)ethyl acetate
CID 20500934
7-Ethyl-1-[(2-methoxyethyl)methyl]-3,4-dihydroisoquinoline
CID 67538088
1,2-Dimethyl-3,4-dihydroisoquinolin-2-ium;1-methyl-3,4-dihydroisoquinoline;iodide
CID 70302559
2-Methyl-1-[2-[2-[2-(2-methyl-3,4-dihydroisoquinolin-2-ium-1-yl)ethoxy]ethoxy]ethyl]-3,4-dihydroisoquinolin-2-ium
CID 129285193
2-(2-Methoxyethyl)-1-[2-[2-[2-[2-(2-methoxyethyl)-3,4-dihydroisoquinolin-2-ium-1-yl]ethoxy]ethoxy]ethyl]-3,4-dihydroisoquinolin-2-ium dibromide
CID 129285208

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[2-[2-(2-methyl-3,4-dihydroisoquinolin-2-ium-1-yl)ethoxy]ethyl]-3,4-dihydroisoquinolin-2-ium?
The IUPAC name of 2-methyl-1-[2-[2-(2-methyl-3,4-dihydroisoquinolin-2-ium-1-yl)ethoxy]ethyl]-3,4-dihydroisoquinolin-2-ium (CID 129295178) is 2-methyl-1-[2-[2-(2-methyl-3,4-dihydroisoquinolin-2-ium-1-yl)ethoxy]ethyl]-3,4-dihydroisoquinolin-2-ium.
What is the SMILES notation for 2-methyl-1-[2-[2-(2-methyl-3,4-dihydroisoquinolin-2-ium-1-yl)ethoxy]ethyl]-3,4-dihydroisoquinolin-2-ium?
The canonical SMILES for 2-methyl-1-[2-[2-(2-methyl-3,4-dihydroisoquinolin-2-ium-1-yl)ethoxy]ethyl]-3,4-dihydroisoquinolin-2-ium is C[N+]1=C(CCOCCC2=[N+](C)CCc3ccccc32)c2ccccc2CC1.
What is the InChIKey of 2-methyl-1-[2-[2-(2-methyl-3,4-dihydroisoquinolin-2-ium-1-yl)ethoxy]ethyl]-3,4-dihydroisoquinolin-2-ium?
The InChIKey is GTQDYVBRUHSNMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O/c1-25-15-11-19-7-3-5-9-21(19)23(25)13-17-27-18-14-24-22-10-6-4-8-20(22)12-16-26(24)2/h3-10H,11-18H2,1-2H3/q+2.
What are the key properties of 2-methyl-1-[2-[2-(2-methyl-3,4-dihydroisoquinolin-2-ium-1-yl)ethoxy]ethyl]-3,4-dihydroisoquinolin-2-ium?
2-methyl-1-[2-[2-(2-methyl-3,4-dihydroisoquinolin-2-ium-1-yl)ethoxy]ethyl]-3,4-dihydroisoquinolin-2-ium has a molecular weight of 362.52 g/mol, XLogP of 3.16, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[2-[2-(2-methyl-3,4-dihydroisoquinolin-2-ium-1-yl)ethoxy]ethyl]-3,4-dihydroisoquinolin-2-ium is sourced from PubChem (CID 129295178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).