[4-[[4-(dimethylamino)cyclohexa-2,4-dien-1-ylidene]methylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium

C17H21N2+ — CID 176537705

IUPAC[4-[[4-(dimethylamino)cyclohexa-2,4-dien-1-ylidene]methylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium
SMILESCN(C)C1=CCC(=C=C2C=CC(=[N+](C)C)C=C2)C=C1
InChIInChI=1S/C17H21N2/c1-18(2)16-9-5-14(6-10-16)13-15-7-11-17(12-8-15)19(3)4/h5-7,9-12H,8H2,1-4H3/q+1
InChIKeyUCIQMOWJSYPXHF-UHFFFAOYSA-N
MW253.37 g/mol
LogP2.68
Rot. Bonds1

About [4-[[4-(dimethylamino)cyclohexa-2,4-dien-1-ylidene]methylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium

[4-[[4-(dimethylamino)cyclohexa-2,4-dien-1-ylidene]methylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium (PubChem CID 176537705) has the molecular formula C17H21N2+ and a molecular weight of 253.37 g/mol. Its IUPAC name is [4-[[4-(dimethylamino)cyclohexa-2,4-dien-1-ylidene]methylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium.

Molecular Properties

Compound Name[4-[[4-(dimethylamino)cyclohexa-2,4-dien-1-ylidene]methylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium
PubChem CID176537705
Molecular FormulaC17H21N2+
Molecular Weight253.37 g/mol
Exact Mass253.17
IUPAC Name[4-[[4-(dimethylamino)cyclohexa-2,4-dien-1-ylidene]methylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium
SMILESCN(C)C1=CCC(=C=C2C=CC(=[N+](C)C)C=C2)C=C1
InChIInChI=1S/C17H21N2/c1-18(2)16-9-5-14(6-10-16)13-15-7-11-17(12-8-15)19(3)4/h5-7,9-12H,8H2,1-4H3/q+1
InChIKeyUCIQMOWJSYPXHF-UHFFFAOYSA-N
XLogP2.68
TPSA6.25 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(6-Diazonioiminocyclohexa-2,4-dien-1-ylidene)-1-methylpyridine
CID 102489992
2-Diethylamino-3h-acridine
CID 137346134
1-[5-fluoro-6-methylidene-1-(2-methylprop-1-enyl)-3-pyridinyl]-N-[(2Z)-3-methylpenta-2,4-dien-2-yl]ethanimine
CID 153383099
Oopcllihquxqnn-uhfffaoysa-
CID 606713
N-ethyl-1-[(4-propylidene-1-pyridinyl)methyl]pyridin-4-imine
CID 20796100
(1E,3Z,10Z)-9,19-diazatetracyclo[10.7.0.04,9.013,18]nonadeca-1,3,5,7,10,12,14,16,18-nonaene
CID 21887567
N-methyl-4-[2-(1-methyl-4-pyridinylidene)ethylidene]cyclohexa-2,5-dien-1-imine
CID 53800904
9,19-Diazatetracyclo[10.7.0.04,9.013,18]nonadeca-1,3,5,7,10,12,14,16,18-nonaene
CID 54254997
[(4E)-4-[[4-(dimethylamino)benzene-6-id-1-yl]methylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium;yttrium
CID 58436140
N,N-dimethyl-4-[(1,2,2,4-tetramethyl-7H-quinolin-1-ium-7-id-6-ylidene)amino]benzene-5-id-1-amine;yttrium
CID 58689975
2-Methyl-6,7-dihydroquinoline
CID 68373323
Pyrido[2,1-c][1,4]benzodiazepine
CID 85779640

Frequently Asked Questions

What is the IUPAC name of [4-[[4-(dimethylamino)cyclohexa-2,4-dien-1-ylidene]methylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium?
The IUPAC name of [4-[[4-(dimethylamino)cyclohexa-2,4-dien-1-ylidene]methylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium (CID 176537705) is [4-[[4-(dimethylamino)cyclohexa-2,4-dien-1-ylidene]methylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium.
What is the SMILES notation for [4-[[4-(dimethylamino)cyclohexa-2,4-dien-1-ylidene]methylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium?
The canonical SMILES for [4-[[4-(dimethylamino)cyclohexa-2,4-dien-1-ylidene]methylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium is CN(C)C1=CCC(=C=C2C=CC(=[N+](C)C)C=C2)C=C1.
What is the InChIKey of [4-[[4-(dimethylamino)cyclohexa-2,4-dien-1-ylidene]methylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium?
The InChIKey is UCIQMOWJSYPXHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N2/c1-18(2)16-9-5-14(6-10-16)13-15-7-11-17(12-8-15)19(3)4/h5-7,9-12H,8H2,1-4H3/q+1.
What are the key properties of [4-[[4-(dimethylamino)cyclohexa-2,4-dien-1-ylidene]methylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium?
[4-[[4-(dimethylamino)cyclohexa-2,4-dien-1-ylidene]methylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium has a molecular weight of 253.37 g/mol, XLogP of 2.68, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[4-(dimethylamino)cyclohexa-2,4-dien-1-ylidene]methylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium is sourced from PubChem (CID 176537705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).