diethyl-methyl-[2-(3-methyl-2-phenylpentanoyl)oxyethyl]azanium

C19H32NO2+ — CID 5648

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IUPACdiethyl-methyl-[2-(3-methyl-2-phenylpentanoyl)oxyethyl]azanium
SMILESCCC(C)C(C(=O)OCC[N+](C)(CC)CC)c1ccccc1
InChIInChI=1S/C19H32NO2/c1-6-16(4)18(17-12-10-9-11-13-17)19(21)22-15-14-20(5,7-2)8-3/h9-13,16,18H,6-8,14-15H2,1-5H3/q+1
InChIKeyUPPMZCXMQRVMME-UHFFFAOYSA-N
MW306.47 g/mol
LogP3.85
Rot. Bonds9

About diethyl-methyl-[2-(3-methyl-2-phenylpentanoyl)oxyethyl]azanium

diethyl-methyl-[2-(3-methyl-2-phenylpentanoyl)oxyethyl]azanium (PubChem CID 5648) has the molecular formula C19H32NO2+ and a molecular weight of 306.47 g/mol. Its IUPAC name is diethyl-methyl-[2-(3-methyl-2-phenylpentanoyl)oxyethyl]azanium.

Molecular Properties

Compound Namediethyl-methyl-[2-(3-methyl-2-phenylpentanoyl)oxyethyl]azanium
PubChem CID5648
Molecular FormulaC19H32NO2+
Molecular Weight306.47 g/mol
Exact Mass306.24
IUPAC Namediethyl-methyl-[2-(3-methyl-2-phenylpentanoyl)oxyethyl]azanium
SMILESCCC(C)C(C(=O)OCC[N+](C)(CC)CC)c1ccccc1
InChIInChI=1S/C19H32NO2/c1-6-16(4)18(17-12-10-9-11-13-17)19(21)22-15-14-20(5,7-2)8-3/h9-13,16,18H,6-8,14-15H2,1-5H3/q+1
InChIKeyUPPMZCXMQRVMME-UHFFFAOYSA-N
XLogP3.85
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.47
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Carbetapentane
CID 2562
Meperidine
CID 4058
Adiphenine
CID 2031
Cyclopentolate
CID 2905
Oxyphenonium
CID 5749
Oxeladin
CID 4619
Proadifen Hydrochloride
CID 65341
Piperidolate
CID 4839
Aprofene
CID 71128
Cyclopentolate Hydrochloride
CID 22162
Piperidolate Hydrochloride
CID 8520
Proadifen
CID 4910

Frequently Asked Questions

What is the IUPAC name of diethyl-methyl-[2-(3-methyl-2-phenylpentanoyl)oxyethyl]azanium?
The IUPAC name of diethyl-methyl-[2-(3-methyl-2-phenylpentanoyl)oxyethyl]azanium (CID 5648) is diethyl-methyl-[2-(3-methyl-2-phenylpentanoyl)oxyethyl]azanium.
What is the SMILES notation for diethyl-methyl-[2-(3-methyl-2-phenylpentanoyl)oxyethyl]azanium?
The canonical SMILES for diethyl-methyl-[2-(3-methyl-2-phenylpentanoyl)oxyethyl]azanium is CCC(C)C(C(=O)OCC[N+](C)(CC)CC)c1ccccc1.
What is the InChIKey of diethyl-methyl-[2-(3-methyl-2-phenylpentanoyl)oxyethyl]azanium?
The InChIKey is UPPMZCXMQRVMME-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32NO2/c1-6-16(4)18(17-12-10-9-11-13-17)19(21)22-15-14-20(5,7-2)8-3/h9-13,16,18H,6-8,14-15H2,1-5H3/q+1.
What are the key properties of diethyl-methyl-[2-(3-methyl-2-phenylpentanoyl)oxyethyl]azanium?
diethyl-methyl-[2-(3-methyl-2-phenylpentanoyl)oxyethyl]azanium has a molecular weight of 306.47 g/mol, XLogP of 3.85, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-methyl-[2-(3-methyl-2-phenylpentanoyl)oxyethyl]azanium is sourced from PubChem (CID 5648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).