phenylmethanamine;tetramethylazanium;hydroxide

C11H22N2O — CID 174471017

IUPACphenylmethanamine;tetramethylazanium;hydroxide
SMILESC[N+](C)(C)C.NCc1ccccc1.[OH-]
InChIInChI=1S/C7H9N.C4H12N.H2O/c8-6-7-4-2-1-3-5-7;1-5(2,3)4;/h1-5H,6,8H2;1-4H3;1H2/q;+1;/p-1
InChIKeyDIWFJLYYMMRJKN-UHFFFAOYSA-M
MW198.31 g/mol
LogP1.29
Rot. Bonds1

About phenylmethanamine;tetramethylazanium;hydroxide

phenylmethanamine;tetramethylazanium;hydroxide (PubChem CID 174471017) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is phenylmethanamine;tetramethylazanium;hydroxide.

Molecular Properties

Compound Namephenylmethanamine;tetramethylazanium;hydroxide
PubChem CID174471017
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Namephenylmethanamine;tetramethylazanium;hydroxide
SMILESC[N+](C)(C)C.NCc1ccccc1.[OH-]
InChIInChI=1S/C7H9N.C4H12N.H2O/c8-6-7-4-2-1-3-5-7;1-5(2,3)4;/h1-5H,6,8H2;1-4H3;1H2/q;+1;/p-1
InChIKeyDIWFJLYYMMRJKN-UHFFFAOYSA-M
XLogP1.29
TPSA56.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze phenylmethanamine;tetramethylazanium;hydroxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

phenylmethanamine
CID 19864074
ethane;phenylmethanamine;vanadium
CID 158602574
oxygen(2-);phenylmethanamine;vanadium;hydroxide
CID 11715324
phenylmethanamine;trihydrobromide
CID 175177372
phenylmethanamine;dodecahydrobromide
CID 175510511
phenylmethanamine;titanium(2+)
CID 21287655
sodium phenylmethanamine
CID 172793696
2,2-dimethylpropane;phenylmethanamine
CID 158787980
CID 174688914
CID 174688914
difluoromethane;phenylmethanamine
CID 156875485
azete;phenylmethanamine
CID 70408997
dibromolead;phenylmethanamine
CID 175060358

Frequently Asked Questions

What is the IUPAC name of phenylmethanamine;tetramethylazanium;hydroxide?
The IUPAC name of phenylmethanamine;tetramethylazanium;hydroxide (CID 174471017) is phenylmethanamine;tetramethylazanium;hydroxide.
What is the SMILES notation for phenylmethanamine;tetramethylazanium;hydroxide?
The canonical SMILES for phenylmethanamine;tetramethylazanium;hydroxide is C[N+](C)(C)C.NCc1ccccc1.[OH-].
What is the InChIKey of phenylmethanamine;tetramethylazanium;hydroxide?
The InChIKey is DIWFJLYYMMRJKN-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H9N.C4H12N.H2O/c8-6-7-4-2-1-3-5-7;1-5(2,3)4;/h1-5H,6,8H2;1-4H3;1H2/q;+1;/p-1.
What are the key properties of phenylmethanamine;tetramethylazanium;hydroxide?
phenylmethanamine;tetramethylazanium;hydroxide has a molecular weight of 198.31 g/mol, XLogP of 1.29, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenylmethanamine;tetramethylazanium;hydroxide is sourced from PubChem (CID 174471017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).