bis(1-(diaminomethylidene)-2-(3,5-dimethylphenyl)guanidine);ethene

C22H34N10 — CID 70011806

IUPACbis(1-(diaminomethylidene)-2-(3,5-dimethylphenyl)guanidine);ethene
SMILESC=C.Cc1cc(C)cc(/N=C(\N)N=C(N)N)c1.Cc1cc(C)cc(/N=C(\N)N=C(N)N)c1
InChIInChI=1S/2C10H15N5.C2H4/c2*1-6-3-7(2)5-8(4-6)14-10(13)15-9(11)12;1-2/h2*3-5H,1-2H3,(H6,11,12,13,14,15);1-2H2
InChIKeyVCTNTKOBZHAGOM-UHFFFAOYSA-N
MW438.58 g/mol
LogP1.85
Rot. Bonds2

About bis(1-(diaminomethylidene)-2-(3,5-dimethylphenyl)guanidine);ethene

bis(1-(diaminomethylidene)-2-(3,5-dimethylphenyl)guanidine);ethene (PubChem CID 70011806) has the molecular formula C22H34N10 and a molecular weight of 438.58 g/mol. Its IUPAC name is bis(1-(diaminomethylidene)-2-(3,5-dimethylphenyl)guanidine);ethene.

Molecular Properties

Compound Namebis(1-(diaminomethylidene)-2-(3,5-dimethylphenyl)guanidine);ethene
PubChem CID70011806
Molecular FormulaC22H34N10
Molecular Weight438.58 g/mol
Exact Mass438.30
IUPAC Namebis(1-(diaminomethylidene)-2-(3,5-dimethylphenyl)guanidine);ethene
SMILESC=C.Cc1cc(C)cc(/N=C(\N)N=C(N)N)c1.Cc1cc(C)cc(/N=C(\N)N=C(N)N)c1
InChIInChI=1S/2C10H15N5.C2H4/c2*1-6-3-7(2)5-8(4-6)14-10(13)15-9(11)12;1-2/h2*3-5H,1-2H3,(H6,11,12,13,14,15);1-2H2
InChIKeyVCTNTKOBZHAGOM-UHFFFAOYSA-N
XLogP1.85
TPSA205.56 Ų
H-Bond Donors6
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.58
LogP ≤ 51.85
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(diaminomethylidene)-2-(3,5-dimethoxyphenyl)guanidine
CID 2730282
1-(diaminomethylidene)-2-(2,6-difluoro-4-methylphenyl)guanidine
CID 21161438
1-(diaminomethylidene)-2-(2,6-dichloro-4-methylphenyl)guanidine
CID 21161372
bis(1-(diaminomethylidene)-2-(2,4-dimethylphenyl)guanidine);ethene
CID 70011870
1-(diaminomethylidene)-2-(4-methyl-3,5-dinitrophenyl)guanidine
CID 168603187
2-(4-bromo-3-chloro-5-methylphenyl)-1-(diaminomethylidene)guanidine
CID 168603138
2-(4-bromo-3-methylphenyl)-1-(diaminomethylidene)guanidine;hydrochloride
CID 2730272
1-(diaminomethylidene)-2-(3,5-difluoro-4-iodophenyl)guanidine;hydrochloride
CID 146317018
(Z)-3-amino-N'-(3,5-dimethylphenyl)-2-methylprop-2-enimidamide
CID 89361275
1-(diaminomethylidene)-2-(4-trimethoxysilylphenyl)guanidine
CID 168604796
2-(4-bromophenyl)-1-(diaminomethylidene)guanidine
CID 29665
1-(diaminomethylidene)-2-(3-methylsulfanylphenyl)guanidine
CID 6342932

Frequently Asked Questions

What is the IUPAC name of bis(1-(diaminomethylidene)-2-(3,5-dimethylphenyl)guanidine);ethene?
The IUPAC name of bis(1-(diaminomethylidene)-2-(3,5-dimethylphenyl)guanidine);ethene (CID 70011806) is bis(1-(diaminomethylidene)-2-(3,5-dimethylphenyl)guanidine);ethene.
What is the SMILES notation for bis(1-(diaminomethylidene)-2-(3,5-dimethylphenyl)guanidine);ethene?
The canonical SMILES for bis(1-(diaminomethylidene)-2-(3,5-dimethylphenyl)guanidine);ethene is C=C.Cc1cc(C)cc(/N=C(\N)N=C(N)N)c1.Cc1cc(C)cc(/N=C(\N)N=C(N)N)c1.
What is the InChIKey of bis(1-(diaminomethylidene)-2-(3,5-dimethylphenyl)guanidine);ethene?
The InChIKey is VCTNTKOBZHAGOM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H15N5.C2H4/c2*1-6-3-7(2)5-8(4-6)14-10(13)15-9(11)12;1-2/h2*3-5H,1-2H3,(H6,11,12,13,14,15);1-2H2.
What are the key properties of bis(1-(diaminomethylidene)-2-(3,5-dimethylphenyl)guanidine);ethene?
bis(1-(diaminomethylidene)-2-(3,5-dimethylphenyl)guanidine);ethene has a molecular weight of 438.58 g/mol, XLogP of 1.85, 2 rotatable bonds, 6 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-(diaminomethylidene)-2-(3,5-dimethylphenyl)guanidine);ethene is sourced from PubChem (CID 70011806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).