2,2-dimethylpropyl-dimethyl-phenylazanium

C13H22N+ — CID 3669875

IUPAC2,2-dimethylpropyl-dimethyl-phenylazanium
SMILESCC(C)(C)C[N+](C)(C)c1ccccc1
InChIInChI=1S/C13H22N/c1-13(2,3)11-14(4,5)12-9-7-6-8-10-12/h6-10H,11H2,1-5H3/q+1
InChIKeyUCSLGIBICKLAEU-UHFFFAOYSA-N
MW192.33 g/mol
LogP3.30
Rot. Bonds2

About 2,2-dimethylpropyl-dimethyl-phenylazanium

2,2-dimethylpropyl-dimethyl-phenylazanium (PubChem CID 3669875) has the molecular formula C13H22N+ and a molecular weight of 192.33 g/mol. Its IUPAC name is 2,2-dimethylpropyl-dimethyl-phenylazanium.

Molecular Properties

Compound Name2,2-dimethylpropyl-dimethyl-phenylazanium
PubChem CID3669875
Molecular FormulaC13H22N+
Molecular Weight192.33 g/mol
Exact Mass192.17
IUPAC Name2,2-dimethylpropyl-dimethyl-phenylazanium
SMILESCC(C)(C)C[N+](C)(C)c1ccccc1
InChIInChI=1S/C13H22N/c1-13(2,3)11-14(4,5)12-9-7-6-8-10-12/h6-10H,11H2,1-5H3/q+1
InChIKeyUCSLGIBICKLAEU-UHFFFAOYSA-N
XLogP3.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.33
LogP ≤ 53.30
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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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylpropyl-dimethyl-phenylazanium?
The IUPAC name of 2,2-dimethylpropyl-dimethyl-phenylazanium (CID 3669875) is 2,2-dimethylpropyl-dimethyl-phenylazanium.
What is the SMILES notation for 2,2-dimethylpropyl-dimethyl-phenylazanium?
The canonical SMILES for 2,2-dimethylpropyl-dimethyl-phenylazanium is CC(C)(C)C[N+](C)(C)c1ccccc1.
What is the InChIKey of 2,2-dimethylpropyl-dimethyl-phenylazanium?
The InChIKey is UCSLGIBICKLAEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N/c1-13(2,3)11-14(4,5)12-9-7-6-8-10-12/h6-10H,11H2,1-5H3/q+1.
What are the key properties of 2,2-dimethylpropyl-dimethyl-phenylazanium?
2,2-dimethylpropyl-dimethyl-phenylazanium has a molecular weight of 192.33 g/mol, XLogP of 3.30, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylpropyl-dimethyl-phenylazanium is sourced from PubChem (CID 3669875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).