2-tert-butyl-1-(4-methylphenyl)guanidine

C12H19N3 — CID 62379997

IUPAC2-tert-butyl-1-(4-methylphenyl)guanidine
SMILESCc1ccc(N/C(N)=N/C(C)(C)C)cc1
InChIInChI=1S/C12H19N3/c1-9-5-7-10(8-6-9)14-11(13)15-12(2,3)4/h5-8H,1-4H3,(H3,13,14,15)
InChIKeyZRJZINWGSVXQAN-UHFFFAOYSA-N
MW205.31 g/mol
LogP2.52
Rot. Bonds1

About 2-tert-butyl-1-(4-methylphenyl)guanidine

2-tert-butyl-1-(4-methylphenyl)guanidine (PubChem CID 62379997) has the molecular formula C12H19N3 and a molecular weight of 205.31 g/mol. Its IUPAC name is 2-tert-butyl-1-(4-methylphenyl)guanidine.

Molecular Properties

Compound Name2-tert-butyl-1-(4-methylphenyl)guanidine
PubChem CID62379997
Molecular FormulaC12H19N3
Molecular Weight205.31 g/mol
Exact Mass205.16
IUPAC Name2-tert-butyl-1-(4-methylphenyl)guanidine
SMILESCc1ccc(N/C(N)=N/C(C)(C)C)cc1
InChIInChI=1S/C12H19N3/c1-9-5-7-10(8-6-9)14-11(13)15-12(2,3)4/h5-8H,1-4H3,(H3,13,14,15)
InChIKeyZRJZINWGSVXQAN-UHFFFAOYSA-N
XLogP2.52
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.31
LogP ≤ 52.52
H-Bond Donors ≤ 52
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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Related Compounds

2-tert-butyl-1-(4-tert-butylphenyl)guanidine
CID 55068593
2-tert-butyl-1-[4-(trifluoromethyl)phenyl]guanidine
CID 62378703
2-tert-butyl-1-(4-sulfamoylphenyl)guanidine
CID 55068310
2-tert-butyl-1-(4-propylphenyl)guanidine
CID 62378915
2-tert-butyl-1-(4-phenoxyphenyl)guanidine
CID 62379783
2-tert-butyl-1-(4-propan-2-yloxyphenyl)guanidine
CID 55068406
1-(4-bromo-3-fluorophenyl)-2-tert-butylguanidine
CID 65436239
2-tert-butyl-1-(1,3-dioxoisoindol-5-yl)guanidine
CID 55068353
2-[[amino-(4-methylanilino)methylidene]amino]-N-tert-butylacetamide
CID 111034564
2-tert-butyl-1-[3-(trifluoromethyl)phenyl]guanidine
CID 62378697
1-[amino-(4-methylanilino)methylidene]-2-ethylguanidine
CID 70233774
(1E)-1-[amino-(4-methylanilino)methylidene]-2-ethylguanidine
CID 45097615

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1-(4-methylphenyl)guanidine?
The IUPAC name of 2-tert-butyl-1-(4-methylphenyl)guanidine (CID 62379997) is 2-tert-butyl-1-(4-methylphenyl)guanidine.
What is the SMILES notation for 2-tert-butyl-1-(4-methylphenyl)guanidine?
The canonical SMILES for 2-tert-butyl-1-(4-methylphenyl)guanidine is Cc1ccc(N/C(N)=N/C(C)(C)C)cc1.
What is the InChIKey of 2-tert-butyl-1-(4-methylphenyl)guanidine?
The InChIKey is ZRJZINWGSVXQAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3/c1-9-5-7-10(8-6-9)14-11(13)15-12(2,3)4/h5-8H,1-4H3,(H3,13,14,15).
What are the key properties of 2-tert-butyl-1-(4-methylphenyl)guanidine?
2-tert-butyl-1-(4-methylphenyl)guanidine has a molecular weight of 205.31 g/mol, XLogP of 2.52, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1-(4-methylphenyl)guanidine is sourced from PubChem (CID 62379997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).