[[chloro-[4-(dimethylamino)phenyl]methylidene]amino]methylidene-dimethylazanium perchlorate

C12H17Cl2N3O4 — CID 13010147

IUPAC[[chloro-[4-(dimethylamino)phenyl]methylidene]amino]methylidene-dimethylazanium perchlorate
SMILESCN(C)c1ccc(/C(Cl)=N/C=[N+](C)C)cc1.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C12H17ClN3.ClHO4/c1-15(2)9-14-12(13)10-5-7-11(8-6-10)16(3)4;2-1(3,4)5/h5-9H,1-4H3;(H,2,3,4,5)/q+1;/p-1
InChIKeyAEZMSOOFJBKVFJ-UHFFFAOYSA-M
MW338.19 g/mol
LogP-2.72
Rot. Bonds3

About [[chloro-[4-(dimethylamino)phenyl]methylidene]amino]methylidene-dimethylazanium perchlorate

[[chloro-[4-(dimethylamino)phenyl]methylidene]amino]methylidene-dimethylazanium perchlorate (PubChem CID 13010147) has the molecular formula C12H17Cl2N3O4 and a molecular weight of 338.19 g/mol. Its IUPAC name is [[chloro-[4-(dimethylamino)phenyl]methylidene]amino]methylidene-dimethylazanium perchlorate.

Molecular Properties

Compound Name[[chloro-[4-(dimethylamino)phenyl]methylidene]amino]methylidene-dimethylazanium perchlorate
PubChem CID13010147
Molecular FormulaC12H17Cl2N3O4
Molecular Weight338.19 g/mol
Exact Mass337.06
IUPAC Name[[chloro-[4-(dimethylamino)phenyl]methylidene]amino]methylidene-dimethylazanium perchlorate
SMILESCN(C)c1ccc(/C(Cl)=N/C=[N+](C)C)cc1.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C12H17ClN3.ClHO4/c1-15(2)9-14-12(13)10-5-7-11(8-6-10)16(3)4;2-1(3,4)5/h5-9H,1-4H3;(H,2,3,4,5)/q+1;/p-1
InChIKeyAEZMSOOFJBKVFJ-UHFFFAOYSA-M
XLogP-2.72
TPSA110.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.19
LogP ≤ 5-2.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

[(E)-3-chloro-3-(4-chlorophenyl)prop-2-enylidene]-dimethylazanium perchlorate
CID 135052899
CID 173423168
CID 173423168
1-(4-chlorophenyl)-N-[4-(dimethylamino)phenyl]methanimine oxide
CID 5221437
4-[(Z)-N-(dimethylamino)-C-methylcarbonimidoyl]-N,N-dimethylaniline
CID 172971736
[4-[bis[4-(dimethylamino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium
CID 3468
[4-[(2E,4E)-1,6-bis[4-(dimethylamino)phenyl]-6-(4-dimethylazaniumylidenecyclohexa-2,5-dien-1-ylidene)-3,4-dimethylhexa-2,4-dienylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium
CID 15400348
4-[(Z)-N-(4-chloroanilino)-C-methylcarbonimidoyl]-N,N-dimethylaniline
CID 9015378
[4-[bis[4-(dimethylamino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium chloride
CID 11057
4-(4-chlorophenyl)-N,N-dimethylaniline
CID 2757476
1,2-bis[4-(dimethylamino)phenyl]ethene-1,2-dithiol
CID 72743774
(E)-3-[4-(dimethylamino)phenyl]but-2-enal
CID 102200939
4-[(4-chlorophenyl)diazenyl]-N,N-dimethylaniline
CID 17226

Frequently Asked Questions

What is the IUPAC name of [[chloro-[4-(dimethylamino)phenyl]methylidene]amino]methylidene-dimethylazanium perchlorate?
The IUPAC name of [[chloro-[4-(dimethylamino)phenyl]methylidene]amino]methylidene-dimethylazanium perchlorate (CID 13010147) is [[chloro-[4-(dimethylamino)phenyl]methylidene]amino]methylidene-dimethylazanium perchlorate.
What is the SMILES notation for [[chloro-[4-(dimethylamino)phenyl]methylidene]amino]methylidene-dimethylazanium perchlorate?
The canonical SMILES for [[chloro-[4-(dimethylamino)phenyl]methylidene]amino]methylidene-dimethylazanium perchlorate is CN(C)c1ccc(/C(Cl)=N/C=[N+](C)C)cc1.[O-][Cl+3]([O-])([O-])[O-].
What is the InChIKey of [[chloro-[4-(dimethylamino)phenyl]methylidene]amino]methylidene-dimethylazanium perchlorate?
The InChIKey is AEZMSOOFJBKVFJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H17ClN3.ClHO4/c1-15(2)9-14-12(13)10-5-7-11(8-6-10)16(3)4;2-1(3,4)5/h5-9H,1-4H3;(H,2,3,4,5)/q+1;/p-1.
What are the key properties of [[chloro-[4-(dimethylamino)phenyl]methylidene]amino]methylidene-dimethylazanium perchlorate?
[[chloro-[4-(dimethylamino)phenyl]methylidene]amino]methylidene-dimethylazanium perchlorate has a molecular weight of 338.19 g/mol, XLogP of -2.72, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [[chloro-[4-(dimethylamino)phenyl]methylidene]amino]methylidene-dimethylazanium perchlorate is sourced from PubChem (CID 13010147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).