N-[(E)-(1,3-diphenyl-1,2-diaza-3-azonia-4-azanidacyclopent-2-en-5-ylidene)amino]-N-methylaniline

C20H18N6 — CID 10545250

IUPACN-[(E)-(1,3-diphenyl-1,2-diaza-3-azonia-4-azanidacyclopent-2-en-5-ylidene)amino]-N-methylaniline
SMILESCN(/N=c1\[n-][n+](-c2ccccc2)nn1-c1ccccc1)c1ccccc1
InChIInChI=1S/C20H18N6/c1-24(17-11-5-2-6-12-17)21-20-22-26(19-15-9-4-10-16-19)23-25(20)18-13-7-3-8-14-18/h2-16H,1H3/b21-20+
InChIKeyKIKCMPNGZNIDMX-QZQOTICOSA-N
MW342.41 g/mol
LogP2.06
Rot. Bonds4

About N-[(E)-(1,3-diphenyl-1,2-diaza-3-azonia-4-azanidacyclopent-2-en-5-ylidene)amino]-N-methylaniline

N-[(E)-(1,3-diphenyl-1,2-diaza-3-azonia-4-azanidacyclopent-2-en-5-ylidene)amino]-N-methylaniline (PubChem CID 10545250) has the molecular formula C20H18N6 and a molecular weight of 342.41 g/mol. Its IUPAC name is N-[(E)-(1,3-diphenyl-1,2-diaza-3-azonia-4-azanidacyclopent-2-en-5-ylidene)amino]-N-methylaniline.

Molecular Properties

Compound NameN-[(E)-(1,3-diphenyl-1,2-diaza-3-azonia-4-azanidacyclopent-2-en-5-ylidene)amino]-N-methylaniline
PubChem CID10545250
Molecular FormulaC20H18N6
Molecular Weight342.41 g/mol
Exact Mass342.16
IUPAC NameN-[(E)-(1,3-diphenyl-1,2-diaza-3-azonia-4-azanidacyclopent-2-en-5-ylidene)amino]-N-methylaniline
SMILESCN(/N=c1\[n-][n+](-c2ccccc2)nn1-c1ccccc1)c1ccccc1
InChIInChI=1S/C20H18N6/c1-24(17-11-5-2-6-12-17)21-20-22-26(19-15-9-4-10-16-19)23-25(20)18-13-7-3-8-14-18/h2-16H,1H3/b21-20+
InChIKeyKIKCMPNGZNIDMX-QZQOTICOSA-N
XLogP2.06
TPSA51.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.41
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

N-butyl-1,3-diphenyl-1,2-diaza-3-azonia-4-azanidacyclopent-2-en-5-imine
CID 177426537
N-methyl-5-oxo-N,4-diphenyltetrazole-1-carboxamide
CID 14857263
N-methyl-N-[[2-[methyl(phenyl)hydrazinylidene]-1,2-diphenylethylidene]amino]aniline
CID 4287495
N-methyl-N-[1-(1-methylpyridin-1-ium-4-yl)ethylideneamino]aniline
CID 71404149
1,2-bis(1,3-diphenyltetrazol-1-ium-5-yl)-1-methylhydrazine
CID 10769443
(N-methylanilino)phosphanium
CID 163691673
CID 123837529
CID 123837529
N,N-dimethylaniline
CID 70392672
4-amino-5-ethyl-2-phenyl-1,2,4-triazol-3-one
CID 12867814
N,N-dimethyl-4-[(3S)-2-phenyl-3,4-dihydropyrazol-3-yl]aniline
CID 890033
1-methyl-1-phenyl-2,2-disilylhydrazine
CID 123916482
5-N,5-N-dimethyl-1-phenylpyrazole-3,5-diamine
CID 83864489

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(1,3-diphenyl-1,2-diaza-3-azonia-4-azanidacyclopent-2-en-5-ylidene)amino]-N-methylaniline?
The IUPAC name of N-[(E)-(1,3-diphenyl-1,2-diaza-3-azonia-4-azanidacyclopent-2-en-5-ylidene)amino]-N-methylaniline (CID 10545250) is N-[(E)-(1,3-diphenyl-1,2-diaza-3-azonia-4-azanidacyclopent-2-en-5-ylidene)amino]-N-methylaniline.
What is the SMILES notation for N-[(E)-(1,3-diphenyl-1,2-diaza-3-azonia-4-azanidacyclopent-2-en-5-ylidene)amino]-N-methylaniline?
The canonical SMILES for N-[(E)-(1,3-diphenyl-1,2-diaza-3-azonia-4-azanidacyclopent-2-en-5-ylidene)amino]-N-methylaniline is CN(/N=c1\[n-][n+](-c2ccccc2)nn1-c1ccccc1)c1ccccc1.
What is the InChIKey of N-[(E)-(1,3-diphenyl-1,2-diaza-3-azonia-4-azanidacyclopent-2-en-5-ylidene)amino]-N-methylaniline?
The InChIKey is KIKCMPNGZNIDMX-QZQOTICOSA-N. The full InChI is InChI=1S/C20H18N6/c1-24(17-11-5-2-6-12-17)21-20-22-26(19-15-9-4-10-16-19)23-25(20)18-13-7-3-8-14-18/h2-16H,1H3/b21-20+.
What are the key properties of N-[(E)-(1,3-diphenyl-1,2-diaza-3-azonia-4-azanidacyclopent-2-en-5-ylidene)amino]-N-methylaniline?
N-[(E)-(1,3-diphenyl-1,2-diaza-3-azonia-4-azanidacyclopent-2-en-5-ylidene)amino]-N-methylaniline has a molecular weight of 342.41 g/mol, XLogP of 2.06, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(1,3-diphenyl-1,2-diaza-3-azonia-4-azanidacyclopent-2-en-5-ylidene)amino]-N-methylaniline is sourced from PubChem (CID 10545250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).