dimethyl-(2-methyl-1-phenylpropan-2-yl)-prop-2-enylazanium

C15H24N+ — CID 69228416

IUPACdimethyl-(2-methyl-1-phenylpropan-2-yl)-prop-2-enylazanium
SMILESC=CC[N+](C)(C)C(C)(C)Cc1ccccc1
InChIInChI=1S/C15H24N/c1-6-12-16(4,5)15(2,3)13-14-10-8-7-9-11-14/h6-11H,1,12-13H2,2-5H3/q+1
InChIKeyCUKHHYHSEZPMMC-UHFFFAOYSA-N
MW218.36 g/mol
LogP3.27
Rot. Bonds5

About dimethyl-(2-methyl-1-phenylpropan-2-yl)-prop-2-enylazanium

dimethyl-(2-methyl-1-phenylpropan-2-yl)-prop-2-enylazanium (PubChem CID 69228416) has the molecular formula C15H24N+ and a molecular weight of 218.36 g/mol. Its IUPAC name is dimethyl-(2-methyl-1-phenylpropan-2-yl)-prop-2-enylazanium.

Molecular Properties

Compound Namedimethyl-(2-methyl-1-phenylpropan-2-yl)-prop-2-enylazanium
PubChem CID69228416
Molecular FormulaC15H24N+
Molecular Weight218.36 g/mol
Exact Mass218.19
IUPAC Namedimethyl-(2-methyl-1-phenylpropan-2-yl)-prop-2-enylazanium
SMILESC=CC[N+](C)(C)C(C)(C)Cc1ccccc1
InChIInChI=1S/C15H24N/c1-6-12-16(4,5)15(2,3)13-14-10-8-7-9-11-14/h6-11H,1,12-13H2,2-5H3/q+1
InChIKeyCUKHHYHSEZPMMC-UHFFFAOYSA-N
XLogP3.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.36
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze dimethyl-(2-methyl-1-phenylpropan-2-yl)-prop-2-enylazanium with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of dimethyl-(2-methyl-1-phenylpropan-2-yl)-prop-2-enylazanium?
The IUPAC name of dimethyl-(2-methyl-1-phenylpropan-2-yl)-prop-2-enylazanium (CID 69228416) is dimethyl-(2-methyl-1-phenylpropan-2-yl)-prop-2-enylazanium.
What is the SMILES notation for dimethyl-(2-methyl-1-phenylpropan-2-yl)-prop-2-enylazanium?
The canonical SMILES for dimethyl-(2-methyl-1-phenylpropan-2-yl)-prop-2-enylazanium is C=CC[N+](C)(C)C(C)(C)Cc1ccccc1.
What is the InChIKey of dimethyl-(2-methyl-1-phenylpropan-2-yl)-prop-2-enylazanium?
The InChIKey is CUKHHYHSEZPMMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N/c1-6-12-16(4,5)15(2,3)13-14-10-8-7-9-11-14/h6-11H,1,12-13H2,2-5H3/q+1.
What are the key properties of dimethyl-(2-methyl-1-phenylpropan-2-yl)-prop-2-enylazanium?
dimethyl-(2-methyl-1-phenylpropan-2-yl)-prop-2-enylazanium has a molecular weight of 218.36 g/mol, XLogP of 3.27, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-(2-methyl-1-phenylpropan-2-yl)-prop-2-enylazanium is sourced from PubChem (CID 69228416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).