trimethyl-[(2R)-2-phenylpropyl]azanium

C12H20N+ — CID 1425543

IUPACtrimethyl-[(2R)-2-phenylpropyl]azanium
SMILESC[C@@H](C[N+](C)(C)C)c1ccccc1
InChIInChI=1S/C12H20N/c1-11(10-13(2,3)4)12-8-6-5-7-9-12/h5-9,11H,10H2,1-4H3/q+1/t11-/m0/s1
InChIKeyBDZOFGGUVQAESK-NSHDSACASA-N
MW178.30 g/mol
LogP2.50
Rot. Bonds3

About trimethyl-[(2R)-2-phenylpropyl]azanium

trimethyl-[(2R)-2-phenylpropyl]azanium (PubChem CID 1425543) has the molecular formula C12H20N+ and a molecular weight of 178.30 g/mol. Its IUPAC name is trimethyl-[(2R)-2-phenylpropyl]azanium.

Molecular Properties

Compound Nametrimethyl-[(2R)-2-phenylpropyl]azanium
PubChem CID1425543
Molecular FormulaC12H20N+
Molecular Weight178.30 g/mol
Exact Mass178.16
IUPAC Nametrimethyl-[(2R)-2-phenylpropyl]azanium
SMILESC[C@@H](C[N+](C)(C)C)c1ccccc1
InChIInChI=1S/C12H20N/c1-11(10-13(2,3)4)12-8-6-5-7-9-12/h5-9,11H,10H2,1-4H3/q+1/t11-/m0/s1
InChIKeyBDZOFGGUVQAESK-NSHDSACASA-N
XLogP2.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.30
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

trimethyl-[2-[3-[1-(trimethylazaniumyl)propan-2-yl]phenyl]propyl]azanium dibromide
CID 21144
butan-2-ylbenzene;ethyl(trimethyl)azanium;chloride
CID 169426198
pentan-2-ylbenzene
CID 17627
(2R)-2-phenyl-N-[(2S)-2-phenylpropyl]propan-1-amine
CID 7054159
[(2R)-1-phenylpropan-2-yl]benzene
CID 11138041
1,4-bis(2-phenylpropyl)benzene
CID 19376086
ethane;(2S)-2-phenylpropan-1-ol
CID 142206535
ethane;(2R)-2-phenylpropan-1-ol
CID 160644449
benzyl-[2-[3-[1-[benzyl(dimethyl)azaniumyl]propan-2-yl]phenyl]propyl]-dimethylazanium dichloride
CID 21146
[(2S)-3-carboxy-2-[[(1S)-1-phenylethyl]amino]propyl]-trimethylazanium chloride
CID 67829395
(2R)-N,N-dimethyl-2-phenylpropan-1-amine
CID 59474206
4-chlorobutan-2-ylbenzene
CID 570466

Frequently Asked Questions

What is the IUPAC name of trimethyl-[(2R)-2-phenylpropyl]azanium?
The IUPAC name of trimethyl-[(2R)-2-phenylpropyl]azanium (CID 1425543) is trimethyl-[(2R)-2-phenylpropyl]azanium.
What is the SMILES notation for trimethyl-[(2R)-2-phenylpropyl]azanium?
The canonical SMILES for trimethyl-[(2R)-2-phenylpropyl]azanium is C[C@@H](C[N+](C)(C)C)c1ccccc1.
What is the InChIKey of trimethyl-[(2R)-2-phenylpropyl]azanium?
The InChIKey is BDZOFGGUVQAESK-NSHDSACASA-N. The full InChI is InChI=1S/C12H20N/c1-11(10-13(2,3)4)12-8-6-5-7-9-12/h5-9,11H,10H2,1-4H3/q+1/t11-/m0/s1.
What are the key properties of trimethyl-[(2R)-2-phenylpropyl]azanium?
trimethyl-[(2R)-2-phenylpropyl]azanium has a molecular weight of 178.30 g/mol, XLogP of 2.50, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[(2R)-2-phenylpropyl]azanium is sourced from PubChem (CID 1425543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).