1-(diaminomethylidene)-2-(2,3-dimethylphenyl)guanidine

C10H15N5 — CID 2730206

IUPAC1-(diaminomethylidene)-2-(2,3-dimethylphenyl)guanidine
SMILESCc1cccc(/N=C(\N)N=C(N)N)c1C
InChIInChI=1S/C10H15N5/c1-6-4-3-5-8(7(6)2)14-10(13)15-9(11)12/h3-5H,1-2H3,(H6,11,12,13,14,15)
InChIKeyQPUAWEXLLDSJBV-UHFFFAOYSA-N
MW205.26 g/mol
LogP0.52
Rot. Bonds1

About 1-(diaminomethylidene)-2-(2,3-dimethylphenyl)guanidine

1-(diaminomethylidene)-2-(2,3-dimethylphenyl)guanidine (PubChem CID 2730206) has the molecular formula C10H15N5 and a molecular weight of 205.26 g/mol. Its IUPAC name is 1-(diaminomethylidene)-2-(2,3-dimethylphenyl)guanidine.

Molecular Properties

Compound Name1-(diaminomethylidene)-2-(2,3-dimethylphenyl)guanidine
PubChem CID2730206
Molecular FormulaC10H15N5
Molecular Weight205.26 g/mol
Exact Mass205.13
IUPAC Name1-(diaminomethylidene)-2-(2,3-dimethylphenyl)guanidine
SMILESCc1cccc(/N=C(\N)N=C(N)N)c1C
InChIInChI=1S/C10H15N5/c1-6-4-3-5-8(7(6)2)14-10(13)15-9(11)12/h3-5H,1-2H3,(H6,11,12,13,14,15)
InChIKeyQPUAWEXLLDSJBV-UHFFFAOYSA-N
XLogP0.52
TPSA102.78 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 50.52
H-Bond Donors ≤ 53
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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Frequently Asked Questions

What is the IUPAC name of 1-(diaminomethylidene)-2-(2,3-dimethylphenyl)guanidine?
The IUPAC name of 1-(diaminomethylidene)-2-(2,3-dimethylphenyl)guanidine (CID 2730206) is 1-(diaminomethylidene)-2-(2,3-dimethylphenyl)guanidine.
What is the SMILES notation for 1-(diaminomethylidene)-2-(2,3-dimethylphenyl)guanidine?
The canonical SMILES for 1-(diaminomethylidene)-2-(2,3-dimethylphenyl)guanidine is Cc1cccc(/N=C(\N)N=C(N)N)c1C.
What is the InChIKey of 1-(diaminomethylidene)-2-(2,3-dimethylphenyl)guanidine?
The InChIKey is QPUAWEXLLDSJBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5/c1-6-4-3-5-8(7(6)2)14-10(13)15-9(11)12/h3-5H,1-2H3,(H6,11,12,13,14,15).
What are the key properties of 1-(diaminomethylidene)-2-(2,3-dimethylphenyl)guanidine?
1-(diaminomethylidene)-2-(2,3-dimethylphenyl)guanidine has a molecular weight of 205.26 g/mol, XLogP of 0.52, 1 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diaminomethylidene)-2-(2,3-dimethylphenyl)guanidine is sourced from PubChem (CID 2730206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).