1-tert-butyl-2-(2,3-diphenylpropyl)guanidine

C20H27N3 — CID 111799912

IUPAC1-tert-butyl-2-(2,3-diphenylpropyl)guanidine
SMILESCC(C)(C)N/C(N)=N/CC(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C20H27N3/c1-20(2,3)23-19(21)22-15-18(17-12-8-5-9-13-17)14-16-10-6-4-7-11-16/h4-13,18H,14-15H2,1-3H3,(H3,21,22,23)
InChIKeyWFGZVQZYCQWPPN-UHFFFAOYSA-N
MW309.46 g/mol
LogP3.72
Rot. Bonds5

About 1-tert-butyl-2-(2,3-diphenylpropyl)guanidine

1-tert-butyl-2-(2,3-diphenylpropyl)guanidine (PubChem CID 111799912) has the molecular formula C20H27N3 and a molecular weight of 309.46 g/mol. Its IUPAC name is 1-tert-butyl-2-(2,3-diphenylpropyl)guanidine.

Molecular Properties

Compound Name1-tert-butyl-2-(2,3-diphenylpropyl)guanidine
PubChem CID111799912
Molecular FormulaC20H27N3
Molecular Weight309.46 g/mol
Exact Mass309.22
IUPAC Name1-tert-butyl-2-(2,3-diphenylpropyl)guanidine
SMILESCC(C)(C)N/C(N)=N/CC(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C20H27N3/c1-20(2,3)23-19(21)22-15-18(17-12-8-5-9-13-17)14-16-10-6-4-7-11-16/h4-13,18H,14-15H2,1-3H3,(H3,21,22,23)
InChIKeyWFGZVQZYCQWPPN-UHFFFAOYSA-N
XLogP3.72
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.46
LogP ≤ 53.72
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

1-tert-butyl-2-(2-phenylpropyl)guanidine;hydroiodide
CID 111030287
1-cyclopropyl-2-(2,3-diphenylpropyl)guanidine
CID 166183703
1-tert-butyl-2-(1-phenylpropan-2-yl)guanidine
CID 63012485
1-tert-butyl-2-(2-phenyl-2-pyrrolidin-1-ylethyl)guanidine
CID 111029760
1-tert-butyl-2-(2-hydroxy-1-phenylethyl)guanidine
CID 63189528
1-tert-butyl-2-[2-(3-fluorophenyl)ethyl]guanidine
CID 62364401
1-tert-butyl-2-[3-(1-phenylethoxy)propyl]guanidine
CID 111035718
1-(4-ethylphenyl)-2-(3-hydroxy-2-phenylpropyl)guanidine;hydroiodide
CID 111799951
N'-(2,3-diphenylpropyl)morpholine-4-carboximidamide
CID 111799880
hydrogen peroxide;1-phenylbutan-2-ylbenzene
CID 19777291
N'-(2,3-diphenylpropyl)morpholine-4-carboximidamide;hydroiodide
CID 111799879
1-tert-butyl-2-[2-(dimethylamino)-2-(furan-2-yl)ethyl]guanidine
CID 111027530

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2-(2,3-diphenylpropyl)guanidine?
The IUPAC name of 1-tert-butyl-2-(2,3-diphenylpropyl)guanidine (CID 111799912) is 1-tert-butyl-2-(2,3-diphenylpropyl)guanidine.
What is the SMILES notation for 1-tert-butyl-2-(2,3-diphenylpropyl)guanidine?
The canonical SMILES for 1-tert-butyl-2-(2,3-diphenylpropyl)guanidine is CC(C)(C)N/C(N)=N/CC(Cc1ccccc1)c1ccccc1.
What is the InChIKey of 1-tert-butyl-2-(2,3-diphenylpropyl)guanidine?
The InChIKey is WFGZVQZYCQWPPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3/c1-20(2,3)23-19(21)22-15-18(17-12-8-5-9-13-17)14-16-10-6-4-7-11-16/h4-13,18H,14-15H2,1-3H3,(H3,21,22,23).
What are the key properties of 1-tert-butyl-2-(2,3-diphenylpropyl)guanidine?
1-tert-butyl-2-(2,3-diphenylpropyl)guanidine has a molecular weight of 309.46 g/mol, XLogP of 3.72, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2-(2,3-diphenylpropyl)guanidine is sourced from PubChem (CID 111799912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).