trimethyl-[(Z)-(2-methyl-1-phenylpropylidene)amino]azanium

C13H21N2+ — CID 5475291

IUPACtrimethyl-[(Z)-(2-methyl-1-phenylpropylidene)amino]azanium
SMILESCC(C)/C(=N/[N+](C)(C)C)/C1=CC=CC=C1
InChIInChI=1S/C13H21N2/c1-11(2)13(14-15(3,4)5)12-9-7-6-8-10-12/h6-11H,1-5H3/q+1/b14-13-
InChIKeyUCOCRPQUUKUJSR-YPKPFQOOSA-N
MW205.32 g/mol
LogP3.20
Rot. Bonds3

About trimethyl-[(Z)-(2-methyl-1-phenylpropylidene)amino]azanium

trimethyl-[(Z)-(2-methyl-1-phenylpropylidene)amino]azanium (PubChem CID 5475291) has the molecular formula C13H21N2+ and a molecular weight of 205.32 g/mol. Its IUPAC name is trimethyl-[(Z)-(2-methyl-1-phenylpropylidene)amino]azanium.

Molecular Properties

Compound Nametrimethyl-[(Z)-(2-methyl-1-phenylpropylidene)amino]azanium
PubChem CID5475291
Molecular FormulaC13H21N2+
Molecular Weight205.32 g/mol
Exact Mass205.17
IUPAC Nametrimethyl-[(Z)-(2-methyl-1-phenylpropylidene)amino]azanium
SMILESCC(C)/C(=N/[N+](C)(C)C)/C1=CC=CC=C1
InChIInChI=1S/C13H21N2/c1-11(2)13(14-15(3,4)5)12-9-7-6-8-10-12/h6-11H,1-5H3/q+1/b14-13-
InChIKeyUCOCRPQUUKUJSR-YPKPFQOOSA-N
XLogP3.20
TPSA12.40 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity217

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.32
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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

1-Phenylethanone 2-(1-phenylethylidene)hydrazone
CID 95250
Ethanone, 1-phenyl-, 2-(1-phenylethylidene)hydrazone
CID 5367154
Acetophenone azine
CID 5484329
Acetophenone, dimethylhydrazone
CID 6172446
1-Phenyl-1-propanone (1-phenylpropylidene)hydrazone
CID 5894538
Hydrazinium, 2-(alpha,3,4-trimethylbenzylidene)-1,1,1-trimethyl-, iodide
CID 5459342
Hydrazinium, 2-(alpha-methylbenzylidene)-1,1,1-trimethyl-, iodide
CID 9570518
(Z)-(1-phenylethylidene)hydrazine
CID 5486169
(1E)-1-(4-methylphenyl)ethanone hydrazone
CID 9677142
Diphenylmethanone dimethylhydrazone
CID 290922
Benzaldehyde N,N-dimethylhydrazone
CID 9569654
trimethyl-[(E)-(2-methyl-1-phenylpropylidene)amino]azanium iodide
CID 5458286

Frequently Asked Questions

What is the IUPAC name of trimethyl-[(Z)-(2-methyl-1-phenylpropylidene)amino]azanium?
The IUPAC name of trimethyl-[(Z)-(2-methyl-1-phenylpropylidene)amino]azanium (CID 5475291) is trimethyl-[(Z)-(2-methyl-1-phenylpropylidene)amino]azanium.
What is the SMILES notation for trimethyl-[(Z)-(2-methyl-1-phenylpropylidene)amino]azanium?
The canonical SMILES for trimethyl-[(Z)-(2-methyl-1-phenylpropylidene)amino]azanium is CC(C)/C(=N/[N+](C)(C)C)/C1=CC=CC=C1.
What is the InChIKey of trimethyl-[(Z)-(2-methyl-1-phenylpropylidene)amino]azanium?
The InChIKey is UCOCRPQUUKUJSR-YPKPFQOOSA-N. The full InChI is InChI=1S/C13H21N2/c1-11(2)13(14-15(3,4)5)12-9-7-6-8-10-12/h6-11H,1-5H3/q+1/b14-13-.
What are the key properties of trimethyl-[(Z)-(2-methyl-1-phenylpropylidene)amino]azanium?
trimethyl-[(Z)-(2-methyl-1-phenylpropylidene)amino]azanium has a molecular weight of 205.32 g/mol, XLogP of 3.20, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[(Z)-(2-methyl-1-phenylpropylidene)amino]azanium is sourced from PubChem (CID 5475291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).