benzyl-dodecyl-methylazanium hydroxide

C20H37NO — CID 87456417

IUPACbenzyl-dodecyl-methylazanium hydroxide
SMILESCCCCCCCCCCCC[NH+](C)Cc1ccccc1.[OH-]
InChIInChI=1S/C20H35N.H2O/c1-3-4-5-6-7-8-9-10-11-15-18-21(2)19-20-16-13-12-14-17-20;/h12-14,16-17H,3-11,15,18-19H2,1-2H3;1H2
InChIKeyUNRXCYVQTSGTJX-UHFFFAOYSA-N
MW307.52 g/mol
LogP4.45
Rot. Bonds13

About benzyl-dodecyl-methylazanium hydroxide

benzyl-dodecyl-methylazanium hydroxide (PubChem CID 87456417) has the molecular formula C20H37NO and a molecular weight of 307.52 g/mol. Its IUPAC name is benzyl-dodecyl-methylazanium hydroxide.

Molecular Properties

Compound Namebenzyl-dodecyl-methylazanium hydroxide
PubChem CID87456417
Molecular FormulaC20H37NO
Molecular Weight307.52 g/mol
Exact Mass307.29
IUPAC Namebenzyl-dodecyl-methylazanium hydroxide
SMILESCCCCCCCCCCCC[NH+](C)Cc1ccccc1.[OH-]
InChIInChI=1S/C20H35N.H2O/c1-3-4-5-6-7-8-9-10-11-15-18-21(2)19-20-16-13-12-14-17-20;/h12-14,16-17H,3-11,15,18-19H2,1-2H3;1H2
InChIKeyUNRXCYVQTSGTJX-UHFFFAOYSA-N
XLogP4.45
TPSA34.44 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.52
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

benzyl-di(nonyl)azanium chloride
CID 139949788
benzyl-(2,2-dihydroxyethyl)-octadecylazanium hydroxide
CID 141193761
azanium;methyl(dioctadecyl)azanium;bis(tetraphenylboranuide)
CID 142622212
hexakis(decane);ethylbenzene
CID 173398562
ethyl-methyl-(13-phenyltridecyl)azanium chloride
CID 158524301
benzyl-heptatriacontan-19-yl-methylazanium chloride
CID 139462736
N-(2-phenylethyl)heptadecan-1-amine oxide
CID 122612686
N-(2-phenylethyl)undecan-1-amine oxide
CID 122613317
pentanonacontylbenzene
CID 165359347
octacosylbenzene
CID 14228596
pentadecane;pentadecylbenzene
CID 174970881
octaoctacontylbenzene
CID 165359374

Frequently Asked Questions

What is the IUPAC name of benzyl-dodecyl-methylazanium hydroxide?
The IUPAC name of benzyl-dodecyl-methylazanium hydroxide (CID 87456417) is benzyl-dodecyl-methylazanium hydroxide.
What is the SMILES notation for benzyl-dodecyl-methylazanium hydroxide?
The canonical SMILES for benzyl-dodecyl-methylazanium hydroxide is CCCCCCCCCCCC[NH+](C)Cc1ccccc1.[OH-].
What is the InChIKey of benzyl-dodecyl-methylazanium hydroxide?
The InChIKey is UNRXCYVQTSGTJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N.H2O/c1-3-4-5-6-7-8-9-10-11-15-18-21(2)19-20-16-13-12-14-17-20;/h12-14,16-17H,3-11,15,18-19H2,1-2H3;1H2.
What are the key properties of benzyl-dodecyl-methylazanium hydroxide?
benzyl-dodecyl-methylazanium hydroxide has a molecular weight of 307.52 g/mol, XLogP of 4.45, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl-dodecyl-methylazanium hydroxide is sourced from PubChem (CID 87456417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).