dimethyl-[2-[2-[2-(4-methyl-2-prop-2-enylphenoxy)ethoxy]ethylazaniumyl]ethyl]azanium

C18H32N2O2+2 — CID 7472915

IUPACdimethyl-[2-[2-[2-(4-methyl-2-prop-2-enylphenoxy)ethoxy]ethylazaniumyl]ethyl]azanium
SMILESC=CCc1cc(C)ccc1OCCOCC[NH2+]CC[NH+](C)C
InChIInChI=1S/C18H30N2O2/c1-5-6-17-15-16(2)7-8-18(17)22-14-13-21-12-10-19-9-11-20(3)4/h5,7-8,15,19H,1,6,9-14H2,2-4H3/p+2
InChIKeyJTZYDAQPJXHZOU-UHFFFAOYSA-P
MW308.47 g/mol
LogP-0.17
Rot. Bonds12

About dimethyl-[2-[2-[2-(4-methyl-2-prop-2-enylphenoxy)ethoxy]ethylazaniumyl]ethyl]azanium

dimethyl-[2-[2-[2-(4-methyl-2-prop-2-enylphenoxy)ethoxy]ethylazaniumyl]ethyl]azanium (PubChem CID 7472915) has the molecular formula C18H32N2O2+2 and a molecular weight of 308.47 g/mol. Its IUPAC name is dimethyl-[2-[2-[2-(4-methyl-2-prop-2-enylphenoxy)ethoxy]ethylazaniumyl]ethyl]azanium.

Molecular Properties

Compound Namedimethyl-[2-[2-[2-(4-methyl-2-prop-2-enylphenoxy)ethoxy]ethylazaniumyl]ethyl]azanium
PubChem CID7472915
Molecular FormulaC18H32N2O2+2
Molecular Weight308.47 g/mol
Exact Mass308.25
IUPAC Namedimethyl-[2-[2-[2-(4-methyl-2-prop-2-enylphenoxy)ethoxy]ethylazaniumyl]ethyl]azanium
SMILESC=CCc1cc(C)ccc1OCCOCC[NH2+]CC[NH+](C)C
InChIInChI=1S/C18H30N2O2/c1-5-6-17-15-16(2)7-8-18(17)22-14-13-21-12-10-19-9-11-20(3)4/h5,7-8,15,19H,1,6,9-14H2,2-4H3/p+2
InChIKeyJTZYDAQPJXHZOU-UHFFFAOYSA-P
XLogP-0.17
TPSA39.51 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.47
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethyl-2-[2-(4-methyl-2-prop-2-enylphenoxy)ethoxy]ethanamine
CID 2183688
N,N-diethyl-2-[2-(4-methyl-2-prop-2-enylphenoxy)ethoxy]ethanamine
CID 2298077
2-(4-chloro-2-prop-2-enylphenoxy)ethyl-dimethylazanium
CID 7413567
(2R,6S)-2,6-dimethyl-4-[2-[2-(4-methyl-2-prop-2-enylphenoxy)ethoxy]ethyl]morpholin-4-ium
CID 2182900
N'-[3-(4-methyl-2-prop-2-enylphenoxy)propyl]ethane-1,2-diamine
CID 2297543
N-(3-methoxypropyl)-4-(4-methyl-2-prop-2-enylphenoxy)butan-1-amine
CID 2581626
1-[2-[2-(2-iodo-4-methylphenoxy)ethoxy]ethoxy]-2-methoxy-4-prop-2-enylbenzene
CID 2284242
1-methyl-4-[4-(4-methyl-2-prop-2-enylphenoxy)butyl]piperazine-1,4-diium
CID 2299280
1-[4-(4-methyl-2-prop-2-enylphenoxy)butyl]imidazole
CID 2923427
1-[4-(2-ethoxyethoxy)-3-prop-2-enylphenyl]ethanone
CID 54849524
1-[2-(4-methyl-2-prop-2-enylphenoxy)ethyl]pyrrolidine;oxalic acid
CID 2924381
2-[4-(4-methyl-2-prop-2-enylphenoxy)butylamino]ethanol;oxalic acid
CID 2922603

Frequently Asked Questions

What is the IUPAC name of dimethyl-[2-[2-[2-(4-methyl-2-prop-2-enylphenoxy)ethoxy]ethylazaniumyl]ethyl]azanium?
The IUPAC name of dimethyl-[2-[2-[2-(4-methyl-2-prop-2-enylphenoxy)ethoxy]ethylazaniumyl]ethyl]azanium (CID 7472915) is dimethyl-[2-[2-[2-(4-methyl-2-prop-2-enylphenoxy)ethoxy]ethylazaniumyl]ethyl]azanium.
What is the SMILES notation for dimethyl-[2-[2-[2-(4-methyl-2-prop-2-enylphenoxy)ethoxy]ethylazaniumyl]ethyl]azanium?
The canonical SMILES for dimethyl-[2-[2-[2-(4-methyl-2-prop-2-enylphenoxy)ethoxy]ethylazaniumyl]ethyl]azanium is C=CCc1cc(C)ccc1OCCOCC[NH2+]CC[NH+](C)C.
What is the InChIKey of dimethyl-[2-[2-[2-(4-methyl-2-prop-2-enylphenoxy)ethoxy]ethylazaniumyl]ethyl]azanium?
The InChIKey is JTZYDAQPJXHZOU-UHFFFAOYSA-P. The full InChI is InChI=1S/C18H30N2O2/c1-5-6-17-15-16(2)7-8-18(17)22-14-13-21-12-10-19-9-11-20(3)4/h5,7-8,15,19H,1,6,9-14H2,2-4H3/p+2.
What are the key properties of dimethyl-[2-[2-[2-(4-methyl-2-prop-2-enylphenoxy)ethoxy]ethylazaniumyl]ethyl]azanium?
dimethyl-[2-[2-[2-(4-methyl-2-prop-2-enylphenoxy)ethoxy]ethylazaniumyl]ethyl]azanium has a molecular weight of 308.47 g/mol, XLogP of -0.17, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[2-[2-[2-(4-methyl-2-prop-2-enylphenoxy)ethoxy]ethylazaniumyl]ethyl]azanium is sourced from PubChem (CID 7472915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).