N,N-dimethyl-4-(2-phenyl-2-phenyldiazenylethyl)cyclopenta-1,4-dien-1-amine

C21H23N3 — CID 90766818

IUPACN,N-dimethyl-4-(2-phenyl-2-phenyldiazenylethyl)cyclopenta-1,4-dien-1-amine
SMILESCN(C)C1=CCC(CC(/N=N/c2ccccc2)c2ccccc2)=C1
InChIInChI=1S/C21H23N3/c1-24(2)20-14-13-17(15-20)16-21(18-9-5-3-6-10-18)23-22-19-11-7-4-8-12-19/h3-12,14-15,21H,13,16H2,1-2H3/b23-22+
InChIKeyKOIUJSAJBPLWNQ-GHVJWSGMSA-N
MW317.44 g/mol
LogP5.68
Rot. Bonds6

About N,N-dimethyl-4-(2-phenyl-2-phenyldiazenylethyl)cyclopenta-1,4-dien-1-amine

N,N-dimethyl-4-(2-phenyl-2-phenyldiazenylethyl)cyclopenta-1,4-dien-1-amine (PubChem CID 90766818) has the molecular formula C21H23N3 and a molecular weight of 317.44 g/mol. Its IUPAC name is N,N-dimethyl-4-(2-phenyl-2-phenyldiazenylethyl)cyclopenta-1,4-dien-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-4-(2-phenyl-2-phenyldiazenylethyl)cyclopenta-1,4-dien-1-amine
PubChem CID90766818
Molecular FormulaC21H23N3
Molecular Weight317.44 g/mol
Exact Mass317.19
IUPAC NameN,N-dimethyl-4-(2-phenyl-2-phenyldiazenylethyl)cyclopenta-1,4-dien-1-amine
SMILESCN(C)C1=CCC(CC(/N=N/c2ccccc2)c2ccccc2)=C1
InChIInChI=1S/C21H23N3/c1-24(2)20-14-13-17(15-20)16-21(18-9-5-3-6-10-18)23-22-19-11-7-4-8-12-19/h3-12,14-15,21H,13,16H2,1-2H3/b23-22+
InChIKeyKOIUJSAJBPLWNQ-GHVJWSGMSA-N
XLogP5.68
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.44
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

[2-(3-tert-butylcyclopenta-1,3-dien-1-yl)-1-phenylethyl]-phenyldiazene
CID 91368914
[phenyl(phenyldiazenyl)methyl] formate
CID 173083254
benzhydryl-(4-methylphenyl)diazene
CID 91269446
2-phenyldiazenyl-2-[4-(trifluoromethyl)phenyl]ethanamine
CID 57015756
4,4-dimethyl-2-phenyldiazenylpentanenitrile
CID 67922022
4-(1-phenylethyldiazenyl)benzoic acid
CID 91596137
2-[phenyl(phenyldiazenyl)methyl]propanedinitrile
CID 19435
(2R)-N,N-dimethyl-2-phenylpropan-1-amine
CID 59474206
diphenyldiazene;hydrofluoride
CID 174857584
1-[2,3-bis(2-phenylpropyl)cyclopenta-1,3-dien-1-yl]-N,N-dimethylethanamine
CID 18783369
phenyl(1-pyridin-2-ylethyl)diazene
CID 91409082
[(4-methoxyphenyl)-phenyldiazenylmethyl]-phenyldiazene
CID 54206769

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-(2-phenyl-2-phenyldiazenylethyl)cyclopenta-1,4-dien-1-amine?
The IUPAC name of N,N-dimethyl-4-(2-phenyl-2-phenyldiazenylethyl)cyclopenta-1,4-dien-1-amine (CID 90766818) is N,N-dimethyl-4-(2-phenyl-2-phenyldiazenylethyl)cyclopenta-1,4-dien-1-amine.
What is the SMILES notation for N,N-dimethyl-4-(2-phenyl-2-phenyldiazenylethyl)cyclopenta-1,4-dien-1-amine?
The canonical SMILES for N,N-dimethyl-4-(2-phenyl-2-phenyldiazenylethyl)cyclopenta-1,4-dien-1-amine is CN(C)C1=CCC(CC(/N=N/c2ccccc2)c2ccccc2)=C1.
What is the InChIKey of N,N-dimethyl-4-(2-phenyl-2-phenyldiazenylethyl)cyclopenta-1,4-dien-1-amine?
The InChIKey is KOIUJSAJBPLWNQ-GHVJWSGMSA-N. The full InChI is InChI=1S/C21H23N3/c1-24(2)20-14-13-17(15-20)16-21(18-9-5-3-6-10-18)23-22-19-11-7-4-8-12-19/h3-12,14-15,21H,13,16H2,1-2H3/b23-22+.
What are the key properties of N,N-dimethyl-4-(2-phenyl-2-phenyldiazenylethyl)cyclopenta-1,4-dien-1-amine?
N,N-dimethyl-4-(2-phenyl-2-phenyldiazenylethyl)cyclopenta-1,4-dien-1-amine has a molecular weight of 317.44 g/mol, XLogP of 5.68, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-(2-phenyl-2-phenyldiazenylethyl)cyclopenta-1,4-dien-1-amine is sourced from PubChem (CID 90766818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).