trimethyl-[2-[2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)propoxy]ethyl]azanium iodide

C23H34INO2 — CID 18540

IUPACtrimethyl-[2-[2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)propoxy]ethyl]azanium iodide
SMILESC[N+](C)(C)CCOCC(Cc1cccc2ccccc12)CC1CCCO1.[I-]
InChIInChI=1S/C23H34NO2.HI/c1-24(2,3)13-15-25-18-19(17-22-11-7-14-26-22)16-21-10-6-9-20-8-4-5-12-23(20)21;/h4-6,8-10,12,19,22H,7,11,13-18H2,1-3H3;1H/q+1;/p-1
InChIKeyWEIOJLMGJKELQU-UHFFFAOYSA-M
MW483.43 g/mol
LogP1.29
Rot. Bonds9

About trimethyl-[2-[2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)propoxy]ethyl]azanium iodide

trimethyl-[2-[2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)propoxy]ethyl]azanium iodide (PubChem CID 18540) has the molecular formula C23H34INO2 and a molecular weight of 483.43 g/mol. Its IUPAC name is trimethyl-[2-[2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)propoxy]ethyl]azanium iodide.

Molecular Properties

Compound Nametrimethyl-[2-[2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)propoxy]ethyl]azanium iodide
PubChem CID18540
Molecular FormulaC23H34INO2
Molecular Weight483.43 g/mol
Exact Mass483.16
IUPAC Nametrimethyl-[2-[2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)propoxy]ethyl]azanium iodide
SMILESC[N+](C)(C)CCOCC(Cc1cccc2ccccc12)CC1CCCO1.[I-]
InChIInChI=1S/C23H34NO2.HI/c1-24(2,3)13-15-25-18-19(17-22-11-7-14-26-22)16-21-10-6-9-20-8-4-5-12-23(20)21;/h4-6,8-10,12,19,22H,7,11,13-18H2,1-3H3;1H/q+1;/p-1
InChIKeyWEIOJLMGJKELQU-UHFFFAOYSA-M
XLogP1.29
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.43
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

Naftidrofuryl
CID 4417
2-(diethylamino)ethyl (2S)-2-(naphthalen-1-ylmethyl)-3-[(2S)-oxolan-2-yl]propanoate
CID 6604457
2-(Diethylamino)ethyl tetrahydro-alpha-(2-naphthylmethyl)furan-2-propionate
CID 6451714
Ammonium, diethylmethyl(2-(3-(1-naphthyl)-2-(tetrahydrofurfuryl)propoxy)ethyl)-, iodide
CID 18767
2-Furanpropanethiol, tetrahydro-S-(2-morpholinoethyl)-beta-(1-naphthyl)-
CID 39474
Piperidine, 1-(2-(3-(1-naphthyl)-2-(tetrahydrofurfuryl)propoxy)ethyl)-, phosphate (1:1)
CID 201078
Triethylamine, 2-(2-(1-naphthyl)-4-pentenyloxy)-, phosphate
CID 201785
Ammonium, (2-(2-(1-naphthyl)-4-hexenyloxy)ethyl)trimethyl-, iodide
CID 6433432
Triethylamine, 2-(2-(1-naphthyl)-4-hexenyloxy)-
CID 6444456
Pyrrolidinium, 1-methyl-1-(2-(2-(1-naphthyl)-4-hexenyloxy)ethyl)-, iodide
CID 6444540
2-(diethylamino)ethyl (2R)-2-(naphthalen-1-ylmethyl)-3-[(2S)-oxolan-2-yl]propanoate
CID 7048719
2-(diethylamino)ethyl (2S)-2-(naphthalen-1-ylmethyl)-3-[(2R)-oxolan-2-yl]propanoate
CID 7048721

Frequently Asked Questions

What is the IUPAC name of trimethyl-[2-[2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)propoxy]ethyl]azanium iodide?
The IUPAC name of trimethyl-[2-[2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)propoxy]ethyl]azanium iodide (CID 18540) is trimethyl-[2-[2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)propoxy]ethyl]azanium iodide.
What is the SMILES notation for trimethyl-[2-[2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)propoxy]ethyl]azanium iodide?
The canonical SMILES for trimethyl-[2-[2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)propoxy]ethyl]azanium iodide is C[N+](C)(C)CCOCC(Cc1cccc2ccccc12)CC1CCCO1.[I-].
What is the InChIKey of trimethyl-[2-[2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)propoxy]ethyl]azanium iodide?
The InChIKey is WEIOJLMGJKELQU-UHFFFAOYSA-M. The full InChI is InChI=1S/C23H34NO2.HI/c1-24(2,3)13-15-25-18-19(17-22-11-7-14-26-22)16-21-10-6-9-20-8-4-5-12-23(20)21;/h4-6,8-10,12,19,22H,7,11,13-18H2,1-3H3;1H/q+1;/p-1.
What are the key properties of trimethyl-[2-[2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)propoxy]ethyl]azanium iodide?
trimethyl-[2-[2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)propoxy]ethyl]azanium iodide has a molecular weight of 483.43 g/mol, XLogP of 1.29, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-[2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)propoxy]ethyl]azanium iodide is sourced from PubChem (CID 18540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).