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

C23H34NO2+ — CID 18541

IUPACtrimethyl-[2-[2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)propoxy]ethyl]azanium
SMILESC[N+](C)(C)CCOCC(Cc1cccc2ccccc12)CC1CCCO1
InChIInChI=1S/C23H34NO2/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/q+1
InChIKeyYHCVZNGZHXNNOK-UHFFFAOYSA-N
MW356.53 g/mol
LogP4.29
Rot. Bonds9

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

trimethyl-[2-[2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)propoxy]ethyl]azanium (PubChem CID 18541) has the molecular formula C23H34NO2+ and a molecular weight of 356.53 g/mol. Its IUPAC name is trimethyl-[2-[2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)propoxy]ethyl]azanium.

Molecular Properties

Compound Nametrimethyl-[2-[2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)propoxy]ethyl]azanium
PubChem CID18541
Molecular FormulaC23H34NO2+
Molecular Weight356.53 g/mol
Exact Mass356.26
IUPAC Nametrimethyl-[2-[2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)propoxy]ethyl]azanium
SMILESC[N+](C)(C)CCOCC(Cc1cccc2ccccc12)CC1CCCO1
InChIInChI=1S/C23H34NO2/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/q+1
InChIKeyYHCVZNGZHXNNOK-UHFFFAOYSA-N
XLogP4.29
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.53
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Naftidrofuryl
CID 4417
2-(Aminomethyl)-5-(1''-naphthethyl)tetrahydrofuran
CID 11514389
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, (2-(2-(1-naphthylmethyl)-3-(tetrahydro-2-furyl)propoxy)ethyl)trimethyl-, iodide
CID 18540
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
Morpholine, 4-(2-(2-(1-naphthylmethyl)-3-(tetrahydro-2-furyl)propoxy)ethyl)-, oxalate (1:1)
CID 201082
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

Frequently Asked Questions

What is the IUPAC name of trimethyl-[2-[2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)propoxy]ethyl]azanium?
The IUPAC name of trimethyl-[2-[2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)propoxy]ethyl]azanium (CID 18541) is trimethyl-[2-[2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)propoxy]ethyl]azanium.
What is the SMILES notation for trimethyl-[2-[2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)propoxy]ethyl]azanium?
The canonical SMILES for trimethyl-[2-[2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)propoxy]ethyl]azanium is C[N+](C)(C)CCOCC(Cc1cccc2ccccc12)CC1CCCO1.
What is the InChIKey of trimethyl-[2-[2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)propoxy]ethyl]azanium?
The InChIKey is YHCVZNGZHXNNOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34NO2/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/q+1.
What are the key properties of trimethyl-[2-[2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)propoxy]ethyl]azanium?
trimethyl-[2-[2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)propoxy]ethyl]azanium has a molecular weight of 356.53 g/mol, XLogP of 4.29, 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 is sourced from PubChem (CID 18541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).