N,N'-bis[1-(3,5-dimethylphenyl)ethenyl]methanimidamide

C21H24N2 — CID 123873965

IUPACN,N'-bis[1-(3,5-dimethylphenyl)ethenyl]methanimidamide
SMILESC=C(/N=C/NC(=C)c1cc(C)cc(C)c1)c1cc(C)cc(C)c1
InChIInChI=1S/C21H24N2/c1-14-7-15(2)10-20(9-14)18(5)22-13-23-19(6)21-11-16(3)8-17(4)12-21/h7-13H,5-6H2,1-4H3,(H,22,23)
InChIKeyHUOHKWPWLSKTQF-UHFFFAOYSA-N
MW304.44 g/mol
LogP5.18
Rot. Bonds5

About N,N'-bis[1-(3,5-dimethylphenyl)ethenyl]methanimidamide

N,N'-bis[1-(3,5-dimethylphenyl)ethenyl]methanimidamide (PubChem CID 123873965) has the molecular formula C21H24N2 and a molecular weight of 304.44 g/mol. Its IUPAC name is N,N'-bis[1-(3,5-dimethylphenyl)ethenyl]methanimidamide.

Molecular Properties

Compound NameN,N'-bis[1-(3,5-dimethylphenyl)ethenyl]methanimidamide
PubChem CID123873965
Molecular FormulaC21H24N2
Molecular Weight304.44 g/mol
Exact Mass304.19
IUPAC NameN,N'-bis[1-(3,5-dimethylphenyl)ethenyl]methanimidamide
SMILESC=C(/N=C/NC(=C)c1cc(C)cc(C)c1)c1cc(C)cc(C)c1
InChIInChI=1S/C21H24N2/c1-14-7-15(2)10-20(9-14)18(5)22-13-23-19(6)21-11-16(3)8-17(4)12-21/h7-13H,5-6H2,1-4H3,(H,22,23)
InChIKeyHUOHKWPWLSKTQF-UHFFFAOYSA-N
XLogP5.18
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.44
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(1-fluoroethenyl)-3,5-dimethylbenzene
CID 130699738
1,3-dimethyl-5-prop-1-en-2-ylbenzene;molecular hydrogen
CID 163256290
1-methyl-3,5-bis(prop-1-en-2-yl)benzene
CID 142935126
5-amino-2-[1-(3,5-dimethylphenyl)ethenylamino]phenol
CID 144639378
1-(3,5-dimethylphenyl)-N-methylethanimine;ethane;bis(2-methylprop-1-ene);1,2,3-trimethylcyclohexa-1,3-diene
CID 166131754
bis(3,5-dimethylphenyl)methanone
CID 15640171
(Z)-N-[1-(4-methylphenyl)ethenyl]but-2-en-1-imine
CID 144810158
(E)-2,3-bis(3,5-dimethylphenyl)but-2-enediamide
CID 174720446
N-(3-chloroprop-2-enoxy)-1-(3-methylphenyl)ethenamine
CID 57046392
CID 171375446
CID 171375446
titanium;bis(1,3,5-trimethylbenzene)
CID 12633333
ethane;1,3,5-trimethylbenzene
CID 91530079

Frequently Asked Questions

What is the IUPAC name of N,N'-bis[1-(3,5-dimethylphenyl)ethenyl]methanimidamide?
The IUPAC name of N,N'-bis[1-(3,5-dimethylphenyl)ethenyl]methanimidamide (CID 123873965) is N,N'-bis[1-(3,5-dimethylphenyl)ethenyl]methanimidamide.
What is the SMILES notation for N,N'-bis[1-(3,5-dimethylphenyl)ethenyl]methanimidamide?
The canonical SMILES for N,N'-bis[1-(3,5-dimethylphenyl)ethenyl]methanimidamide is C=C(/N=C/NC(=C)c1cc(C)cc(C)c1)c1cc(C)cc(C)c1.
What is the InChIKey of N,N'-bis[1-(3,5-dimethylphenyl)ethenyl]methanimidamide?
The InChIKey is HUOHKWPWLSKTQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2/c1-14-7-15(2)10-20(9-14)18(5)22-13-23-19(6)21-11-16(3)8-17(4)12-21/h7-13H,5-6H2,1-4H3,(H,22,23).
What are the key properties of N,N'-bis[1-(3,5-dimethylphenyl)ethenyl]methanimidamide?
N,N'-bis[1-(3,5-dimethylphenyl)ethenyl]methanimidamide has a molecular weight of 304.44 g/mol, XLogP of 5.18, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[1-(3,5-dimethylphenyl)ethenyl]methanimidamide is sourced from PubChem (CID 123873965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).