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

C15H25N3 — CID 55068593

IUPAC2-tert-butyl-1-(4-tert-butylphenyl)guanidine
SMILESCC(C)(C)/N=C(\N)Nc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C15H25N3/c1-14(2,3)11-7-9-12(10-8-11)17-13(16)18-15(4,5)6/h7-10H,1-6H3,(H3,16,17,18)
InChIKeyYUYGUPIOWNNJTE-UHFFFAOYSA-N
MW247.39 g/mol
LogP3.51
Rot. Bonds1

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

2-tert-butyl-1-(4-tert-butylphenyl)guanidine (PubChem CID 55068593) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is 2-tert-butyl-1-(4-tert-butylphenyl)guanidine.

Molecular Properties

Compound Name2-tert-butyl-1-(4-tert-butylphenyl)guanidine
PubChem CID55068593
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name2-tert-butyl-1-(4-tert-butylphenyl)guanidine
SMILESCC(C)(C)/N=C(\N)Nc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C15H25N3/c1-14(2,3)11-7-9-12(10-8-11)17-13(16)18-15(4,5)6/h7-10H,1-6H3,(H3,16,17,18)
InChIKeyYUYGUPIOWNNJTE-UHFFFAOYSA-N
XLogP3.51
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 53.51
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-(trifluoromethyl)phenyl]guanidine
CID 62378703
2-tert-butyl-1-(4-methylphenyl)guanidine
CID 62379997
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
4-tert-butyl-N-(4-carbamoylphenyl)benzamide
CID 3252757
4-tert-butyl-N-[4-(N'-hydroxycarbamimidoyl)phenyl]benzamide
CID 2908825
1-(N'-tert-butylcarbamimidoyl)-3-pyridin-4-ylurea
CID 70456473
3-amino-N-(4-tert-butylphenyl)-3-hydroxyimino-2-methylpropanamide
CID 76926765

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1-(4-tert-butylphenyl)guanidine?
The IUPAC name of 2-tert-butyl-1-(4-tert-butylphenyl)guanidine (CID 55068593) is 2-tert-butyl-1-(4-tert-butylphenyl)guanidine.
What is the SMILES notation for 2-tert-butyl-1-(4-tert-butylphenyl)guanidine?
The canonical SMILES for 2-tert-butyl-1-(4-tert-butylphenyl)guanidine is CC(C)(C)/N=C(\N)Nc1ccc(C(C)(C)C)cc1.
What is the InChIKey of 2-tert-butyl-1-(4-tert-butylphenyl)guanidine?
The InChIKey is YUYGUPIOWNNJTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-14(2,3)11-7-9-12(10-8-11)17-13(16)18-15(4,5)6/h7-10H,1-6H3,(H3,16,17,18).
What are the key properties of 2-tert-butyl-1-(4-tert-butylphenyl)guanidine?
2-tert-butyl-1-(4-tert-butylphenyl)guanidine has a molecular weight of 247.39 g/mol, XLogP of 3.51, 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-tert-butylphenyl)guanidine is sourced from PubChem (CID 55068593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).