2-[2-(4-tert-butylphenyl)-2-methylpropyl]guanidine

C15H25N3 — CID 75432859

IUPAC2-[2-(4-tert-butylphenyl)-2-methylpropyl]guanidine
SMILESCC(C)(C)c1ccc(C(C)(C)CN=C(N)N)cc1
InChIInChI=1S/C15H25N3/c1-14(2,3)11-6-8-12(9-7-11)15(4,5)10-18-13(16)17/h6-9H,10H2,1-5H3,(H4,16,17,18)
InChIKeyPWMXDGZRTHMGCU-UHFFFAOYSA-N
MW247.39 g/mol
LogP2.54
Rot. Bonds3

About 2-[2-(4-tert-butylphenyl)-2-methylpropyl]guanidine

2-[2-(4-tert-butylphenyl)-2-methylpropyl]guanidine (PubChem CID 75432859) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is 2-[2-(4-tert-butylphenyl)-2-methylpropyl]guanidine.

Molecular Properties

Compound Name2-[2-(4-tert-butylphenyl)-2-methylpropyl]guanidine
PubChem CID75432859
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name2-[2-(4-tert-butylphenyl)-2-methylpropyl]guanidine
SMILESCC(C)(C)c1ccc(C(C)(C)CN=C(N)N)cc1
InChIInChI=1S/C15H25N3/c1-14(2,3)11-6-8-12(9-7-11)15(4,5)10-18-13(16)17/h6-9H,10H2,1-5H3,(H4,16,17,18)
InChIKeyPWMXDGZRTHMGCU-UHFFFAOYSA-N
XLogP2.54
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 52.54
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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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-tert-butylphenyl)-2-methylpropyl]guanidine?
The IUPAC name of 2-[2-(4-tert-butylphenyl)-2-methylpropyl]guanidine (CID 75432859) is 2-[2-(4-tert-butylphenyl)-2-methylpropyl]guanidine.
What is the SMILES notation for 2-[2-(4-tert-butylphenyl)-2-methylpropyl]guanidine?
The canonical SMILES for 2-[2-(4-tert-butylphenyl)-2-methylpropyl]guanidine is CC(C)(C)c1ccc(C(C)(C)CN=C(N)N)cc1.
What is the InChIKey of 2-[2-(4-tert-butylphenyl)-2-methylpropyl]guanidine?
The InChIKey is PWMXDGZRTHMGCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-14(2,3)11-6-8-12(9-7-11)15(4,5)10-18-13(16)17/h6-9H,10H2,1-5H3,(H4,16,17,18).
What are the key properties of 2-[2-(4-tert-butylphenyl)-2-methylpropyl]guanidine?
2-[2-(4-tert-butylphenyl)-2-methylpropyl]guanidine has a molecular weight of 247.39 g/mol, XLogP of 2.54, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-tert-butylphenyl)-2-methylpropyl]guanidine is sourced from PubChem (CID 75432859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).