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

C9H13N5 — CID 2730263

IUPAC1-(diaminomethylidene)-2-(4-methylphenyl)guanidine
SMILESCc1ccc(/N=C(\N)N=C(N)N)cc1
InChIInChI=1S/C9H13N5/c1-6-2-4-7(5-3-6)13-9(12)14-8(10)11/h2-5H,1H3,(H6,10,11,12,13,14)
InChIKeyILEIGUXOYKZHRK-UHFFFAOYSA-N
MW191.24 g/mol
LogP0.21
Rot. Bonds1

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

1-(diaminomethylidene)-2-(4-methylphenyl)guanidine (PubChem CID 2730263) has the molecular formula C9H13N5 and a molecular weight of 191.24 g/mol. Its IUPAC name is 1-(diaminomethylidene)-2-(4-methylphenyl)guanidine.

Molecular Properties

Compound Name1-(diaminomethylidene)-2-(4-methylphenyl)guanidine
PubChem CID2730263
Molecular FormulaC9H13N5
Molecular Weight191.24 g/mol
Exact Mass191.12
IUPAC Name1-(diaminomethylidene)-2-(4-methylphenyl)guanidine
SMILESCc1ccc(/N=C(\N)N=C(N)N)cc1
InChIInChI=1S/C9H13N5/c1-6-2-4-7(5-3-6)13-9(12)14-8(10)11/h2-5H,1H3,(H6,10,11,12,13,14)
InChIKeyILEIGUXOYKZHRK-UHFFFAOYSA-N
XLogP0.21
TPSA102.78 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.24
LogP ≤ 50.21
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-(4-methylphenyl)guanidine?
The IUPAC name of 1-(diaminomethylidene)-2-(4-methylphenyl)guanidine (CID 2730263) is 1-(diaminomethylidene)-2-(4-methylphenyl)guanidine.
What is the SMILES notation for 1-(diaminomethylidene)-2-(4-methylphenyl)guanidine?
The canonical SMILES for 1-(diaminomethylidene)-2-(4-methylphenyl)guanidine is Cc1ccc(/N=C(\N)N=C(N)N)cc1.
What is the InChIKey of 1-(diaminomethylidene)-2-(4-methylphenyl)guanidine?
The InChIKey is ILEIGUXOYKZHRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5/c1-6-2-4-7(5-3-6)13-9(12)14-8(10)11/h2-5H,1H3,(H6,10,11,12,13,14).
What are the key properties of 1-(diaminomethylidene)-2-(4-methylphenyl)guanidine?
1-(diaminomethylidene)-2-(4-methylphenyl)guanidine has a molecular weight of 191.24 g/mol, XLogP of 0.21, 1 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diaminomethylidene)-2-(4-methylphenyl)guanidine is sourced from PubChem (CID 2730263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).