[7-(diethylamino)-9,9-dimethylanthracen-2-ylidene]-dimethylazanium;methane

C23H33N2+ — CID 158364674

IUPAC[7-(diethylamino)-9,9-dimethylanthracen-2-ylidene]-dimethylazanium;methane
SMILESC.CCN(CC)c1ccc2c(c1)C(C)(C)C1=CC(=[N+](C)C)C=CC1=C2
InChIInChI=1S/C22H29N2.CH4/c1-7-24(8-2)19-12-10-17-13-16-9-11-18(23(5)6)14-20(16)22(3,4)21(17)15-19;/h9-15H,7-8H2,1-6H3;1H4/q+1;
InChIKeyKPAXEVYUWFSYQT-UHFFFAOYSA-N
MW337.53 g/mol
LogP5.05
Rot. Bonds3

About [7-(diethylamino)-9,9-dimethylanthracen-2-ylidene]-dimethylazanium;methane

[7-(diethylamino)-9,9-dimethylanthracen-2-ylidene]-dimethylazanium;methane (PubChem CID 158364674) has the molecular formula C23H33N2+ and a molecular weight of 337.53 g/mol. Its IUPAC name is [7-(diethylamino)-9,9-dimethylanthracen-2-ylidene]-dimethylazanium;methane.

Molecular Properties

Compound Name[7-(diethylamino)-9,9-dimethylanthracen-2-ylidene]-dimethylazanium;methane
PubChem CID158364674
Molecular FormulaC23H33N2+
Molecular Weight337.53 g/mol
Exact Mass337.26
IUPAC Name[7-(diethylamino)-9,9-dimethylanthracen-2-ylidene]-dimethylazanium;methane
SMILESC.CCN(CC)c1ccc2c(c1)C(C)(C)C1=CC(=[N+](C)C)C=CC1=C2
InChIInChI=1S/C22H29N2.CH4/c1-7-24(8-2)19-12-10-17-13-16-9-11-18(23(5)6)14-20(16)22(3,4)21(17)15-19;/h9-15H,7-8H2,1-6H3;1H4/q+1;
InChIKeyKPAXEVYUWFSYQT-UHFFFAOYSA-N
XLogP5.05
TPSA6.25 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.53
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'ene_quin_methide(10)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

[7-(dimethylamino)-9,9-diethylanthracen-2-ylidene]-dimethylazanium
CID 23528837
[7-(dimethylamino)-10-(1-hydroxyethyl)-9,9-dimethylanthracen-2-ylidene]-dimethylazanium;ethane
CID 170787544
[7-(dimethylamino)-10-di(propan-2-yloxy)phosphoryl-9,9-dimethylanthracen-2-ylidene]-dimethylazanium
CID 140893315
4-[(7-dimethylazaniumylidene-9,9-dimethyl-10-propan-2-ylanthracen-2-yl)-methylamino]butanoate
CID 58069277
[6-(diethylamino)xanthen-3-ylidene]-dimethylazanium
CID 101126890
1-N,1-N,4-N,4-N-tetraethylbenzene-1,4-diamine
CID 14438301
1-N,1-N,4-N,4-N-tetraethylbenzene-1,4-diamine;hydrochloride
CID 70262837
N,N-diethyl-1',3',3'-trimethylspiro[chromene-2,2'-indole]-7-amine
CID 3952387
N,N-diethyl-2H-chromen-7-amine
CID 10750672
N-[[2-amino-5-(diethylamino)phenyl]methyl]methanesulfonamide
CID 56991431
N,N-diethyl-4-[[(1-methylcyclopropyl)methylamino]methyl]aniline
CID 103724362
bis[2-chloro-4-(diethylamino)phenyl]methanone
CID 139673948

Frequently Asked Questions

What is the IUPAC name of [7-(diethylamino)-9,9-dimethylanthracen-2-ylidene]-dimethylazanium;methane?
The IUPAC name of [7-(diethylamino)-9,9-dimethylanthracen-2-ylidene]-dimethylazanium;methane (CID 158364674) is [7-(diethylamino)-9,9-dimethylanthracen-2-ylidene]-dimethylazanium;methane.
What is the SMILES notation for [7-(diethylamino)-9,9-dimethylanthracen-2-ylidene]-dimethylazanium;methane?
The canonical SMILES for [7-(diethylamino)-9,9-dimethylanthracen-2-ylidene]-dimethylazanium;methane is C.CCN(CC)c1ccc2c(c1)C(C)(C)C1=CC(=[N+](C)C)C=CC1=C2.
What is the InChIKey of [7-(diethylamino)-9,9-dimethylanthracen-2-ylidene]-dimethylazanium;methane?
The InChIKey is KPAXEVYUWFSYQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N2.CH4/c1-7-24(8-2)19-12-10-17-13-16-9-11-18(23(5)6)14-20(16)22(3,4)21(17)15-19;/h9-15H,7-8H2,1-6H3;1H4/q+1;.
What are the key properties of [7-(diethylamino)-9,9-dimethylanthracen-2-ylidene]-dimethylazanium;methane?
[7-(diethylamino)-9,9-dimethylanthracen-2-ylidene]-dimethylazanium;methane has a molecular weight of 337.53 g/mol, XLogP of 5.05, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(diethylamino)-9,9-dimethylanthracen-2-ylidene]-dimethylazanium;methane is sourced from PubChem (CID 158364674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).