benzyl-dimethyl-undecanoylazanium

C20H34NO+ — CID 88833769

IUPACbenzyl-dimethyl-undecanoylazanium
SMILESCCCCCCCCCCC(=O)[N+](C)(C)Cc1ccccc1
InChIInChI=1S/C20H34NO/c1-4-5-6-7-8-9-10-14-17-20(22)21(2,3)18-19-15-12-11-13-16-19/h11-13,15-16H,4-10,14,17-18H2,1-3H3/q+1
InChIKeyRGXNNCJCANTQHP-UHFFFAOYSA-N
MW304.50 g/mol
LogP5.32
Rot. Bonds11

About benzyl-dimethyl-undecanoylazanium

benzyl-dimethyl-undecanoylazanium (PubChem CID 88833769) has the molecular formula C20H34NO+ and a molecular weight of 304.50 g/mol. Its IUPAC name is benzyl-dimethyl-undecanoylazanium.

Molecular Properties

Compound Namebenzyl-dimethyl-undecanoylazanium
PubChem CID88833769
Molecular FormulaC20H34NO+
Molecular Weight304.50 g/mol
Exact Mass304.26
IUPAC Namebenzyl-dimethyl-undecanoylazanium
SMILESCCCCCCCCCCC(=O)[N+](C)(C)Cc1ccccc1
InChIInChI=1S/C20H34NO/c1-4-5-6-7-8-9-10-14-17-20(22)21(2,3)18-19-15-12-11-13-16-19/h11-13,15-16H,4-10,14,17-18H2,1-3H3/q+1
InChIKeyRGXNNCJCANTQHP-UHFFFAOYSA-N
XLogP5.32
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.50
LogP ≤ 55.32
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_2', 'substructure': 'N/A'}

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Related Compounds

benzyl-dimethyl-tetradecanoylazanium
CID 88833628
benzyl-icosanoyl-dimethylazanium
CID 88833236
benzyl-diethyl-octadecanoylazanium chloride
CID 174424505
benzyl(trimethyl)azanium;hexanoic acid
CID 71445176
bis(benzyl-dodecyl-dimethylazanium);butanedioate
CID 118659054
benzyl-dimethyl-[3-(nonadecanoylamino)propyl]azanium
CID 101212819
1-phenylheptadecan-2-one
CID 12920609
N-benzylundecanamide
CID 5078198
bis(benzyl-(2-hydroxydodecyl)-dimethylazanium);butanedioate
CID 19822920
pentadecanoic acid;3-phenylpropylbenzene
CID 158688900
benzyl-dimethyl-octadecylazanium;benzyl-hexadecyl-dimethylazanium
CID 159179523
benzyl-dimethyl-octylazanium
CID 13741

Frequently Asked Questions

What is the IUPAC name of benzyl-dimethyl-undecanoylazanium?
The IUPAC name of benzyl-dimethyl-undecanoylazanium (CID 88833769) is benzyl-dimethyl-undecanoylazanium.
What is the SMILES notation for benzyl-dimethyl-undecanoylazanium?
The canonical SMILES for benzyl-dimethyl-undecanoylazanium is CCCCCCCCCCC(=O)[N+](C)(C)Cc1ccccc1.
What is the InChIKey of benzyl-dimethyl-undecanoylazanium?
The InChIKey is RGXNNCJCANTQHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34NO/c1-4-5-6-7-8-9-10-14-17-20(22)21(2,3)18-19-15-12-11-13-16-19/h11-13,15-16H,4-10,14,17-18H2,1-3H3/q+1.
What are the key properties of benzyl-dimethyl-undecanoylazanium?
benzyl-dimethyl-undecanoylazanium has a molecular weight of 304.50 g/mol, XLogP of 5.32, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl-dimethyl-undecanoylazanium is sourced from PubChem (CID 88833769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).