2-[1-(4-tert-butylphenyl)-2-pyridin-4-ylethyl]guanidine

C18H24N4 — CID 10424667

IUPAC2-[1-(4-tert-butylphenyl)-2-pyridin-4-ylethyl]guanidine
SMILESCC(C)(C)c1ccc(C(Cc2ccncc2)N=C(N)N)cc1
InChIInChI=1S/C18H24N4/c1-18(2,3)15-6-4-14(5-7-15)16(22-17(19)20)12-13-8-10-21-11-9-13/h4-11,16H,12H2,1-3H3,(H4,19,20,22)
InChIKeyHDFXPVGISNSJES-UHFFFAOYSA-N
MW296.42 g/mol
LogP2.94
Rot. Bonds4

About 2-[1-(4-tert-butylphenyl)-2-pyridin-4-ylethyl]guanidine

2-[1-(4-tert-butylphenyl)-2-pyridin-4-ylethyl]guanidine (PubChem CID 10424667) has the molecular formula C18H24N4 and a molecular weight of 296.42 g/mol. Its IUPAC name is 2-[1-(4-tert-butylphenyl)-2-pyridin-4-ylethyl]guanidine.

Molecular Properties

Compound Name2-[1-(4-tert-butylphenyl)-2-pyridin-4-ylethyl]guanidine
PubChem CID10424667
Molecular FormulaC18H24N4
Molecular Weight296.42 g/mol
Exact Mass296.20
IUPAC Name2-[1-(4-tert-butylphenyl)-2-pyridin-4-ylethyl]guanidine
SMILESCC(C)(C)c1ccc(C(Cc2ccncc2)N=C(N)N)cc1
InChIInChI=1S/C18H24N4/c1-18(2,3)15-6-4-14(5-7-15)16(22-17(19)20)12-13-8-10-21-11-9-13/h4-11,16H,12H2,1-3H3,(H4,19,20,22)
InChIKeyHDFXPVGISNSJES-UHFFFAOYSA-N
XLogP2.94
TPSA77.29 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-[1-(4-tert-butylphenyl)-2-pyridin-4-ylethyl]guanidine?
The IUPAC name of 2-[1-(4-tert-butylphenyl)-2-pyridin-4-ylethyl]guanidine (CID 10424667) is 2-[1-(4-tert-butylphenyl)-2-pyridin-4-ylethyl]guanidine.
What is the SMILES notation for 2-[1-(4-tert-butylphenyl)-2-pyridin-4-ylethyl]guanidine?
The canonical SMILES for 2-[1-(4-tert-butylphenyl)-2-pyridin-4-ylethyl]guanidine is CC(C)(C)c1ccc(C(Cc2ccncc2)N=C(N)N)cc1.
What is the InChIKey of 2-[1-(4-tert-butylphenyl)-2-pyridin-4-ylethyl]guanidine?
The InChIKey is HDFXPVGISNSJES-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4/c1-18(2,3)15-6-4-14(5-7-15)16(22-17(19)20)12-13-8-10-21-11-9-13/h4-11,16H,12H2,1-3H3,(H4,19,20,22).
What are the key properties of 2-[1-(4-tert-butylphenyl)-2-pyridin-4-ylethyl]guanidine?
2-[1-(4-tert-butylphenyl)-2-pyridin-4-ylethyl]guanidine has a molecular weight of 296.42 g/mol, XLogP of 2.94, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-tert-butylphenyl)-2-pyridin-4-ylethyl]guanidine is sourced from PubChem (CID 10424667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).