amino-dimethyl-(2-methyl-2-phenylpropyl)azanium

C12H21N2+ — CID 134094496

IUPACamino-dimethyl-(2-methyl-2-phenylpropyl)azanium
SMILESCC(C)(C[N+](C)(C)N)c1ccccc1
InChIInChI=1S/C12H21N2/c1-12(2,10-14(3,4)13)11-8-6-5-7-9-11/h5-9H,10,13H2,1-4H3/q+1
InChIKeyQCYXVXLUPVTNMO-UHFFFAOYSA-N
MW193.31 g/mol
LogP1.91
Rot. Bonds3

About amino-dimethyl-(2-methyl-2-phenylpropyl)azanium

amino-dimethyl-(2-methyl-2-phenylpropyl)azanium (PubChem CID 134094496) has the molecular formula C12H21N2+ and a molecular weight of 193.31 g/mol. Its IUPAC name is amino-dimethyl-(2-methyl-2-phenylpropyl)azanium.

Molecular Properties

Compound Nameamino-dimethyl-(2-methyl-2-phenylpropyl)azanium
PubChem CID134094496
Molecular FormulaC12H21N2+
Molecular Weight193.31 g/mol
Exact Mass193.17
IUPAC Nameamino-dimethyl-(2-methyl-2-phenylpropyl)azanium
SMILESCC(C)(C[N+](C)(C)N)c1ccccc1
InChIInChI=1S/C12H21N2/c1-12(2,10-14(3,4)13)11-8-6-5-7-9-11/h5-9H,10,13H2,1-4H3/q+1
InChIKeyQCYXVXLUPVTNMO-UHFFFAOYSA-N
XLogP1.91
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.31
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

(2,4,4,6-tetramethyl-6-phenylheptan-2-yl)benzene
CID 164800464
methanamine;methane;2,4,4-trimethylpentan-2-ylbenzene
CID 144516441
CID 158792811
CID 158792811
Trineophyltin hydride
CID 6327208
(2R)-2,4-dimethyl-4-phenylpentan-1-amine
CID 42077880
(4-chloro-2,4-dimethylpentan-2-yl)benzene
CID 13095883
1,1-diphenylethanamine
CID 12761172
1,1-difluoroethylbenzene
CID 10942535
(2-methyl-2-phenylpropyl) hydrogen carbonate
CID 150979314
iodo-tris(2-methyl-2-phenylpropyl)stannane
CID 12970290
[2-methyl-4-(3-methyl-3-phenylbutoxy)butan-2-yl]benzene
CID 70593938
2-amino-4-methyl-4-phenylpentanoic acid
CID 11287233

Frequently Asked Questions

What is the IUPAC name of amino-dimethyl-(2-methyl-2-phenylpropyl)azanium?
The IUPAC name of amino-dimethyl-(2-methyl-2-phenylpropyl)azanium (CID 134094496) is amino-dimethyl-(2-methyl-2-phenylpropyl)azanium.
What is the SMILES notation for amino-dimethyl-(2-methyl-2-phenylpropyl)azanium?
The canonical SMILES for amino-dimethyl-(2-methyl-2-phenylpropyl)azanium is CC(C)(C[N+](C)(C)N)c1ccccc1.
What is the InChIKey of amino-dimethyl-(2-methyl-2-phenylpropyl)azanium?
The InChIKey is QCYXVXLUPVTNMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N2/c1-12(2,10-14(3,4)13)11-8-6-5-7-9-11/h5-9H,10,13H2,1-4H3/q+1.
What are the key properties of amino-dimethyl-(2-methyl-2-phenylpropyl)azanium?
amino-dimethyl-(2-methyl-2-phenylpropyl)azanium has a molecular weight of 193.31 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for amino-dimethyl-(2-methyl-2-phenylpropyl)azanium is sourced from PubChem (CID 134094496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).