benzyl(trimethyl)azanium;4-methylmorpholine;hydroxide

C15H28N2O2 — CID 159939573

IUPACbenzyl(trimethyl)azanium;4-methylmorpholine;hydroxide
SMILESCN1CCOCC1.C[N+](C)(C)Cc1ccccc1.[OH-]
InChIInChI=1S/C10H16N.C5H11NO.H2O/c1-11(2,3)9-10-7-5-4-6-8-10;1-6-2-4-7-5-3-6;/h4-8H,9H2,1-3H3;2-5H2,1H3;1H2/q+1;;/p-1
InChIKeyOARVTVKNWYFSES-UHFFFAOYSA-M
MW268.40 g/mol
LogP1.66
Rot. Bonds2

About benzyl(trimethyl)azanium;4-methylmorpholine;hydroxide

benzyl(trimethyl)azanium;4-methylmorpholine;hydroxide (PubChem CID 159939573) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is benzyl(trimethyl)azanium;4-methylmorpholine;hydroxide.

Molecular Properties

Compound Namebenzyl(trimethyl)azanium;4-methylmorpholine;hydroxide
PubChem CID159939573
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Namebenzyl(trimethyl)azanium;4-methylmorpholine;hydroxide
SMILESCN1CCOCC1.C[N+](C)(C)Cc1ccccc1.[OH-]
InChIInChI=1S/C10H16N.C5H11NO.H2O/c1-11(2,3)9-10-7-5-4-6-8-10;1-6-2-4-7-5-3-6;/h4-8H,9H2,1-3H3;2-5H2,1H3;1H2/q+1;;/p-1
InChIKeyOARVTVKNWYFSES-UHFFFAOYSA-M
XLogP1.66
TPSA42.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

9H-fluorene;4-methylmorpholine
CID 158477262
methane;4-(2-phenylethyl)morpholine
CID 143698819
19-methyl-1,4,7,10,13,16-hexaoxa-19-azacyclohenicosane
CID 6612303
ethane;4-methylmorpholine
CID 54432133
benzyl(trimethyl)azanium;propanedioic acid
CID 87600376
9H-carbazole;4-methylmorpholine
CID 175233361
3-benzyl-4-methylmorpholine;ethane
CID 168940239
1,4-dimethylpiperazine;ethane;ethylbenzene
CID 90922002
4-[(2R)-1-phenylpropan-2-yl]morpholine
CID 71110957
butane;bis(4-methylmorpholine)
CID 159010392
2-[(dimethylamino)methyl]phenol;4-methylmorpholine
CID 160689906
lithium;4-methylmorpholine;chloride
CID 172748649

Frequently Asked Questions

What is the IUPAC name of benzyl(trimethyl)azanium;4-methylmorpholine;hydroxide?
The IUPAC name of benzyl(trimethyl)azanium;4-methylmorpholine;hydroxide (CID 159939573) is benzyl(trimethyl)azanium;4-methylmorpholine;hydroxide.
What is the SMILES notation for benzyl(trimethyl)azanium;4-methylmorpholine;hydroxide?
The canonical SMILES for benzyl(trimethyl)azanium;4-methylmorpholine;hydroxide is CN1CCOCC1.C[N+](C)(C)Cc1ccccc1.[OH-].
What is the InChIKey of benzyl(trimethyl)azanium;4-methylmorpholine;hydroxide?
The InChIKey is OARVTVKNWYFSES-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H16N.C5H11NO.H2O/c1-11(2,3)9-10-7-5-4-6-8-10;1-6-2-4-7-5-3-6;/h4-8H,9H2,1-3H3;2-5H2,1H3;1H2/q+1;;/p-1.
What are the key properties of benzyl(trimethyl)azanium;4-methylmorpholine;hydroxide?
benzyl(trimethyl)azanium;4-methylmorpholine;hydroxide has a molecular weight of 268.40 g/mol, XLogP of 1.66, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl(trimethyl)azanium;4-methylmorpholine;hydroxide is sourced from PubChem (CID 159939573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).