[(Z)-(2,6-dichlorophenyl)methylideneamino]-trimethylazanium

C10H13Cl2N2+ — CID 124926466

IUPAC[(Z)-(2,6-dichlorophenyl)methylideneamino]-trimethylazanium
SMILESC[N+](C)(C)/N=C\c1c(Cl)cccc1Cl
InChIInChI=1S/C10H13Cl2N2/c1-14(2,3)13-7-8-9(11)5-4-6-10(8)12/h4-7H,1-3H3/q+1/b13-7-
InChIKeyIYUOQQDZKKIKQP-QPEQYQDCSA-N
MW232.13 g/mol
LogP3.03
Rot. Bonds2

About [(Z)-(2,6-dichlorophenyl)methylideneamino]-trimethylazanium

[(Z)-(2,6-dichlorophenyl)methylideneamino]-trimethylazanium (PubChem CID 124926466) has the molecular formula C10H13Cl2N2+ and a molecular weight of 232.13 g/mol. Its IUPAC name is [(Z)-(2,6-dichlorophenyl)methylideneamino]-trimethylazanium.

Molecular Properties

Compound Name[(Z)-(2,6-dichlorophenyl)methylideneamino]-trimethylazanium
PubChem CID124926466
Molecular FormulaC10H13Cl2N2+
Molecular Weight232.13 g/mol
Exact Mass231.05
IUPAC Name[(Z)-(2,6-dichlorophenyl)methylideneamino]-trimethylazanium
SMILESC[N+](C)(C)/N=C\c1c(Cl)cccc1Cl
InChIInChI=1S/C10H13Cl2N2/c1-14(2,3)13-7-8-9(11)5-4-6-10(8)12/h4-7H,1-3H3/q+1/b13-7-
InChIKeyIYUOQQDZKKIKQP-QPEQYQDCSA-N
XLogP3.03
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.13
LogP ≤ 53.03
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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Frequently Asked Questions

What is the IUPAC name of [(Z)-(2,6-dichlorophenyl)methylideneamino]-trimethylazanium?
The IUPAC name of [(Z)-(2,6-dichlorophenyl)methylideneamino]-trimethylazanium (CID 124926466) is [(Z)-(2,6-dichlorophenyl)methylideneamino]-trimethylazanium.
What is the SMILES notation for [(Z)-(2,6-dichlorophenyl)methylideneamino]-trimethylazanium?
The canonical SMILES for [(Z)-(2,6-dichlorophenyl)methylideneamino]-trimethylazanium is C[N+](C)(C)/N=C\c1c(Cl)cccc1Cl.
What is the InChIKey of [(Z)-(2,6-dichlorophenyl)methylideneamino]-trimethylazanium?
The InChIKey is IYUOQQDZKKIKQP-QPEQYQDCSA-N. The full InChI is InChI=1S/C10H13Cl2N2/c1-14(2,3)13-7-8-9(11)5-4-6-10(8)12/h4-7H,1-3H3/q+1/b13-7-.
What are the key properties of [(Z)-(2,6-dichlorophenyl)methylideneamino]-trimethylazanium?
[(Z)-(2,6-dichlorophenyl)methylideneamino]-trimethylazanium has a molecular weight of 232.13 g/mol, XLogP of 3.03, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-(2,6-dichlorophenyl)methylideneamino]-trimethylazanium is sourced from PubChem (CID 124926466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).