2-(5-amino-2-methylphenyl)-1-methylideneguanidine

C9H12N4 — CID 126562195

IUPAC2-(5-amino-2-methylphenyl)-1-methylideneguanidine
SMILESC=N/C(N)=N\c1cc(N)ccc1C
InChIInChI=1S/C9H12N4/c1-6-3-4-7(10)5-8(6)13-9(11)12-2/h3-5H,2,10H2,1H3,(H2,11,13)
InChIKeyXCECORUFCIDWKK-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.22
Rot. Bonds1

About 2-(5-amino-2-methylphenyl)-1-methylideneguanidine

2-(5-amino-2-methylphenyl)-1-methylideneguanidine (PubChem CID 126562195) has the molecular formula C9H12N4 and a molecular weight of 176.22 g/mol. Its IUPAC name is 2-(5-amino-2-methylphenyl)-1-methylideneguanidine.

Molecular Properties

Compound Name2-(5-amino-2-methylphenyl)-1-methylideneguanidine
PubChem CID126562195
Molecular FormulaC9H12N4
Molecular Weight176.22 g/mol
Exact Mass176.11
IUPAC Name2-(5-amino-2-methylphenyl)-1-methylideneguanidine
SMILESC=N/C(N)=N\c1cc(N)ccc1C
InChIInChI=1S/C9H12N4/c1-6-3-4-7(10)5-8(6)13-9(11)12-2/h3-5H,2,10H2,1H3,(H2,11,13)
InChIKeyXCECORUFCIDWKK-UHFFFAOYSA-N
XLogP1.22
TPSA76.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'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 2-(5-amino-2-methylphenyl)-1-methylideneguanidine?
The IUPAC name of 2-(5-amino-2-methylphenyl)-1-methylideneguanidine (CID 126562195) is 2-(5-amino-2-methylphenyl)-1-methylideneguanidine.
What is the SMILES notation for 2-(5-amino-2-methylphenyl)-1-methylideneguanidine?
The canonical SMILES for 2-(5-amino-2-methylphenyl)-1-methylideneguanidine is C=N/C(N)=N\c1cc(N)ccc1C.
What is the InChIKey of 2-(5-amino-2-methylphenyl)-1-methylideneguanidine?
The InChIKey is XCECORUFCIDWKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4/c1-6-3-4-7(10)5-8(6)13-9(11)12-2/h3-5H,2,10H2,1H3,(H2,11,13).
What are the key properties of 2-(5-amino-2-methylphenyl)-1-methylideneguanidine?
2-(5-amino-2-methylphenyl)-1-methylideneguanidine has a molecular weight of 176.22 g/mol, XLogP of 1.22, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-2-methylphenyl)-1-methylideneguanidine is sourced from PubChem (CID 126562195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).