2-(benzylideneamino)ethyl-trimethylazanium

C12H19N2+ — CID 13048432

IUPAC2-(benzylideneamino)ethyl-trimethylazanium
SMILESC[N+](C)(C)CC/N=C/c1ccccc1
InChIInChI=1S/C12H19N2/c1-14(2,3)10-9-13-11-12-7-5-4-6-8-12/h4-8,11H,9-10H2,1-3H3/q+1/b13-11+
InChIKeyATSHQJZKCAGKCH-ACCUITESSA-N
MW191.30 g/mol
LogP1.81
Rot. Bonds4

About 2-(benzylideneamino)ethyl-trimethylazanium

2-(benzylideneamino)ethyl-trimethylazanium (PubChem CID 13048432) has the molecular formula C12H19N2+ and a molecular weight of 191.30 g/mol. Its IUPAC name is 2-(benzylideneamino)ethyl-trimethylazanium.

Molecular Properties

Compound Name2-(benzylideneamino)ethyl-trimethylazanium
PubChem CID13048432
Molecular FormulaC12H19N2+
Molecular Weight191.30 g/mol
Exact Mass191.15
IUPAC Name2-(benzylideneamino)ethyl-trimethylazanium
SMILESC[N+](C)(C)CC/N=C/c1ccccc1
InChIInChI=1S/C12H19N2/c1-14(2,3)10-9-13-11-12-7-5-4-6-8-12/h4-8,11H,9-10H2,1-3H3/q+1/b13-11+
InChIKeyATSHQJZKCAGKCH-ACCUITESSA-N
XLogP1.81
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.30
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

3-(benzylideneamino)propyl-hexadecyl-dimethylazanium
CID 175686029
1-phenyl-N-(2-propan-2-yloxyethyl)methanimine
CID 145468461
1-(benzylideneamino)-N,N-dimethylmethanamine
CID 70014229
2-(benzylideneamino)-N-tritylethanamine
CID 101473643
trimethyl-[2-[[2,4,6-triethyl-3,5-bis[2-(trimethylazaniumyl)ethyliminomethyl]phenyl]methylideneamino]ethyl]azanium trichloride
CID 46900025
2-(benzylideneamino)acetaldehyde
CID 19818582
1-[2-(benzylideneamino)ethylsulfonyl]ethanol
CID 139898780
N-(2-diethoxyphosphorylethyl)-1-phenylmethanimine
CID 172686597
6-oxo-1,3-diphenyl-2-sulfanylidene-5-[2-(trimethylazaniumyl)ethyliminomethyl]pyrimidin-4-olate;hydroiodide
CID 131666569
N-(2-naphthalen-1-ylethyl)-1-phenylmethanimine
CID 154126259
ethane;N-methyl-1-phenylmethanimine
CID 90887000
N-[3-(3-methyl-2H-imidazol-1-yl)propyl]-1-phenylmethanimine
CID 71420486

Frequently Asked Questions

What is the IUPAC name of 2-(benzylideneamino)ethyl-trimethylazanium?
The IUPAC name of 2-(benzylideneamino)ethyl-trimethylazanium (CID 13048432) is 2-(benzylideneamino)ethyl-trimethylazanium.
What is the SMILES notation for 2-(benzylideneamino)ethyl-trimethylazanium?
The canonical SMILES for 2-(benzylideneamino)ethyl-trimethylazanium is C[N+](C)(C)CC/N=C/c1ccccc1.
What is the InChIKey of 2-(benzylideneamino)ethyl-trimethylazanium?
The InChIKey is ATSHQJZKCAGKCH-ACCUITESSA-N. The full InChI is InChI=1S/C12H19N2/c1-14(2,3)10-9-13-11-12-7-5-4-6-8-12/h4-8,11H,9-10H2,1-3H3/q+1/b13-11+.
What are the key properties of 2-(benzylideneamino)ethyl-trimethylazanium?
2-(benzylideneamino)ethyl-trimethylazanium has a molecular weight of 191.30 g/mol, XLogP of 1.81, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylideneamino)ethyl-trimethylazanium is sourced from PubChem (CID 13048432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).