1-(diaminomethylidene)-2-(4-trimethoxysilylphenyl)guanidine

C11H19N5O3Si — CID 168604796

IUPAC1-(diaminomethylidene)-2-(4-trimethoxysilylphenyl)guanidine
SMILESCO[Si](OC)(OC)c1ccc(/N=C(\N)N=C(N)N)cc1
InChIInChI=1S/C11H19N5O3Si/c1-17-20(18-2,19-3)9-6-4-8(5-7-9)15-11(14)16-10(12)13/h4-7H,1-3H3,(H6,12,13,14,15,16)
InChIKeyGVOPZMWCQCILSX-UHFFFAOYSA-N
MW297.39 g/mol
LogP-1.01
Rot. Bonds5

About 1-(diaminomethylidene)-2-(4-trimethoxysilylphenyl)guanidine

1-(diaminomethylidene)-2-(4-trimethoxysilylphenyl)guanidine (PubChem CID 168604796) has the molecular formula C11H19N5O3Si and a molecular weight of 297.39 g/mol. Its IUPAC name is 1-(diaminomethylidene)-2-(4-trimethoxysilylphenyl)guanidine.

Molecular Properties

Compound Name1-(diaminomethylidene)-2-(4-trimethoxysilylphenyl)guanidine
PubChem CID168604796
Molecular FormulaC11H19N5O3Si
Molecular Weight297.39 g/mol
Exact Mass297.13
IUPAC Name1-(diaminomethylidene)-2-(4-trimethoxysilylphenyl)guanidine
SMILESCO[Si](OC)(OC)c1ccc(/N=C(\N)N=C(N)N)cc1
InChIInChI=1S/C11H19N5O3Si/c1-17-20(18-2,19-3)9-6-4-8(5-7-9)15-11(14)16-10(12)13/h4-7H,1-3H3,(H6,12,13,14,15,16)
InChIKeyGVOPZMWCQCILSX-UHFFFAOYSA-N
XLogP-1.01
TPSA130.47 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.39
LogP ≤ 5-1.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-[[amino-(diaminomethylideneamino)methylidene]amino]benzoate
CID 168600995
2-(4-bromophenyl)-1-(diaminomethylidene)guanidine
CID 29665
1-(diaminomethylidene)-2-(4-ethoxyphenyl)guanidine
CID 29671
methyl N-[4-[[amino-(diaminomethylideneamino)methylidene]amino]phenyl]carbamate
CID 168605433
1-(diaminomethylidene)-2-[4-(1-hydroxyethyl)phenyl]guanidine
CID 168601889
1-(diaminomethylidene)-2-[4-(2-pyridin-4-ylethenyl)phenyl]guanidine
CID 168603584
1-(diaminomethylidene)-2-[4-(6-methyl-2-pyridinyl)phenyl]guanidine
CID 168602688
1-(diaminomethylidene)-2-(3,5-dimethoxyphenyl)guanidine
CID 2730282
bis(2-(4-chlorophenyl)-1-(diaminomethylidene)guanidine);cyclohexane
CID 70021727
1-(diaminomethylidene)-2-[4-(trifluoromethylsulfanyl)phenyl]guanidine
CID 4190840
2-[4-[[amino-(diaminomethylideneamino)methylidene]amino]phenoxy]ethyl-trimethylazanium
CID 168605345
dimethyl 4-[4-[[amino-(diaminomethylideneamino)methylidene]amino]phenyl]-2,6-dimethylpyridine-3,5-dicarboxylate
CID 168605054

Frequently Asked Questions

What is the IUPAC name of 1-(diaminomethylidene)-2-(4-trimethoxysilylphenyl)guanidine?
The IUPAC name of 1-(diaminomethylidene)-2-(4-trimethoxysilylphenyl)guanidine (CID 168604796) is 1-(diaminomethylidene)-2-(4-trimethoxysilylphenyl)guanidine.
What is the SMILES notation for 1-(diaminomethylidene)-2-(4-trimethoxysilylphenyl)guanidine?
The canonical SMILES for 1-(diaminomethylidene)-2-(4-trimethoxysilylphenyl)guanidine is CO[Si](OC)(OC)c1ccc(/N=C(\N)N=C(N)N)cc1.
What is the InChIKey of 1-(diaminomethylidene)-2-(4-trimethoxysilylphenyl)guanidine?
The InChIKey is GVOPZMWCQCILSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O3Si/c1-17-20(18-2,19-3)9-6-4-8(5-7-9)15-11(14)16-10(12)13/h4-7H,1-3H3,(H6,12,13,14,15,16).
What are the key properties of 1-(diaminomethylidene)-2-(4-trimethoxysilylphenyl)guanidine?
1-(diaminomethylidene)-2-(4-trimethoxysilylphenyl)guanidine has a molecular weight of 297.39 g/mol, XLogP of -1.01, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diaminomethylidene)-2-(4-trimethoxysilylphenyl)guanidine is sourced from PubChem (CID 168604796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).