methane;methanidyl-dimethyl-[(2-methylphenyl)methyl]azanium;yttrium

C14H29NY — CID 161114175

IUPACmethane;methanidyl-dimethyl-[(2-methylphenyl)methyl]azanium;yttrium
SMILESC.C.C.[CH2-][N+](C)(C)Cc1ccccc1C.[Y]
InChIInChI=1S/C11H17N.3CH4.Y/c1-10-7-5-6-8-11(10)9-12(2,3)4;;;;/h5-8H,2,9H2,1,3-4H3;3*1H4;
InChIKeyUKCCOKQLSKRMGG-UHFFFAOYSA-N
MW300.30 g/mol
LogP4.27
Rot. Bonds2

About methane;methanidyl-dimethyl-[(2-methylphenyl)methyl]azanium;yttrium

methane;methanidyl-dimethyl-[(2-methylphenyl)methyl]azanium;yttrium (PubChem CID 161114175) has the molecular formula C14H29NY and a molecular weight of 300.30 g/mol. Its IUPAC name is methane;methanidyl-dimethyl-[(2-methylphenyl)methyl]azanium;yttrium.

Molecular Properties

Compound Namemethane;methanidyl-dimethyl-[(2-methylphenyl)methyl]azanium;yttrium
PubChem CID161114175
Molecular FormulaC14H29NY
Molecular Weight300.30 g/mol
Exact Mass300.14
IUPAC Namemethane;methanidyl-dimethyl-[(2-methylphenyl)methyl]azanium;yttrium
SMILESC.C.C.[CH2-][N+](C)(C)Cc1ccccc1C.[Y]
InChIInChI=1S/C11H17N.3CH4.Y/c1-10-7-5-6-8-11(10)9-12(2,3)4;;;;/h5-8H,2,9H2,1,3-4H3;3*1H4;
InChIKeyUKCCOKQLSKRMGG-UHFFFAOYSA-N
XLogP4.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.30
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethyl-1-(2-methylphenyl)methanamine oxide
CID 134893793
bis(2-hydroxyethyl)-methyl-[(2-methylphenyl)methyl]azanium
CID 87786138
methane;1-methyl-2-(2-methylpropyl)benzene
CID 142148493
(2-methylphenyl)methylazanium chloride
CID 26942
CID 57429570
CID 57429570
carbanide;ethane;1-ethyl-2-methylbenzene;yttrium
CID 165046421
1-(chloromethyl)-2-methylbenzene
CID 11093
tris[(2-hydroxy-3-methylphenyl)methyl]-methylazanium
CID 140618052
methanidyl-methyl-[(2-methylphenyl)methyl]azanium
CID 59280601
2-(2-methylphenyl)ethylazanium chloride
CID 21115517
butane;ethane;1-ethyl-2-methylbenzene;methane
CID 144514138
methane;1-methyl-2-prop-2-enylbenzene
CID 174365033

Frequently Asked Questions

What is the IUPAC name of methane;methanidyl-dimethyl-[(2-methylphenyl)methyl]azanium;yttrium?
The IUPAC name of methane;methanidyl-dimethyl-[(2-methylphenyl)methyl]azanium;yttrium (CID 161114175) is methane;methanidyl-dimethyl-[(2-methylphenyl)methyl]azanium;yttrium.
What is the SMILES notation for methane;methanidyl-dimethyl-[(2-methylphenyl)methyl]azanium;yttrium?
The canonical SMILES for methane;methanidyl-dimethyl-[(2-methylphenyl)methyl]azanium;yttrium is C.C.C.[CH2-][N+](C)(C)Cc1ccccc1C.[Y].
What is the InChIKey of methane;methanidyl-dimethyl-[(2-methylphenyl)methyl]azanium;yttrium?
The InChIKey is UKCCOKQLSKRMGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N.3CH4.Y/c1-10-7-5-6-8-11(10)9-12(2,3)4;;;;/h5-8H,2,9H2,1,3-4H3;3*1H4;.
What are the key properties of methane;methanidyl-dimethyl-[(2-methylphenyl)methyl]azanium;yttrium?
methane;methanidyl-dimethyl-[(2-methylphenyl)methyl]azanium;yttrium has a molecular weight of 300.30 g/mol, XLogP of 4.27, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methane;methanidyl-dimethyl-[(2-methylphenyl)methyl]azanium;yttrium is sourced from PubChem (CID 161114175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).