2-(2-methyl-2-phenylpropyl)-1-propan-2-ylguanidine

C14H23N3 — CID 62363532

IUPAC2-(2-methyl-2-phenylpropyl)-1-propan-2-ylguanidine
SMILESCC(C)N/C(N)=N/CC(C)(C)c1ccccc1
InChIInChI=1S/C14H23N3/c1-11(2)17-13(15)16-10-14(3,4)12-8-6-5-7-9-12/h5-9,11H,10H2,1-4H3,(H3,15,16,17)
InChIKeyFGLPJDSLAORJDJ-UHFFFAOYSA-N
MW233.36 g/mol
LogP2.28
Rot. Bonds4

About 2-(2-methyl-2-phenylpropyl)-1-propan-2-ylguanidine

2-(2-methyl-2-phenylpropyl)-1-propan-2-ylguanidine (PubChem CID 62363532) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is 2-(2-methyl-2-phenylpropyl)-1-propan-2-ylguanidine.

Molecular Properties

Compound Name2-(2-methyl-2-phenylpropyl)-1-propan-2-ylguanidine
PubChem CID62363532
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name2-(2-methyl-2-phenylpropyl)-1-propan-2-ylguanidine
SMILESCC(C)N/C(N)=N/CC(C)(C)c1ccccc1
InChIInChI=1S/C14H23N3/c1-11(2)17-13(15)16-10-14(3,4)12-8-6-5-7-9-12/h5-9,11H,10H2,1-4H3,(H3,15,16,17)
InChIKeyFGLPJDSLAORJDJ-UHFFFAOYSA-N
XLogP2.28
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.28
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'}

Analyze 2-(2-methyl-2-phenylpropyl)-1-propan-2-ylguanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-(4-ethylphenyl)-2-methylpropyl]-1-propan-2-ylguanidine
CID 111859843
2-[2-(2-fluorophenyl)-2-methylpropyl]-1-propan-2-ylguanidine
CID 111095348
2-(2,2-dimethyl-5-phenylpentyl)-1-propan-2-ylguanidine
CID 111813102
1-cyclopropyl-2-(2-methyl-2-phenylpropyl)guanidine;hydroiodide
CID 110912213
2-(2-phenoxyethyl)-1-propan-2-ylguanidine
CID 62361568
1-butan-2-yl-2-[2-(4-fluorophenyl)-2-methylpropyl]guanidine;hydroiodide
CID 111101396
2-(3-anilinopropyl)-1-propan-2-ylguanidine;hydroiodide
CID 111088147
2-[2-methyl-2-(3-methylphenyl)propyl]-1-(2-methylpropyl)guanidine
CID 111088072
2-[2-(dimethylamino)-2-phenylethyl]-1-propan-2-ylguanidine
CID 111026200
1-(3,4-dimethoxyphenyl)-2-(2-methyl-2-phenylpropyl)guanidine;hydroiodide
CID 111062865
2-(4-hydroxy-2,2-dimethylbutyl)-1-propan-2-ylguanidine
CID 106148866
2-[2-(dimethylamino)-2-methylpropyl]-1-propan-2-ylguanidine;hydroiodide
CID 110912360

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-2-phenylpropyl)-1-propan-2-ylguanidine?
The IUPAC name of 2-(2-methyl-2-phenylpropyl)-1-propan-2-ylguanidine (CID 62363532) is 2-(2-methyl-2-phenylpropyl)-1-propan-2-ylguanidine.
What is the SMILES notation for 2-(2-methyl-2-phenylpropyl)-1-propan-2-ylguanidine?
The canonical SMILES for 2-(2-methyl-2-phenylpropyl)-1-propan-2-ylguanidine is CC(C)N/C(N)=N/CC(C)(C)c1ccccc1.
What is the InChIKey of 2-(2-methyl-2-phenylpropyl)-1-propan-2-ylguanidine?
The InChIKey is FGLPJDSLAORJDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-11(2)17-13(15)16-10-14(3,4)12-8-6-5-7-9-12/h5-9,11H,10H2,1-4H3,(H3,15,16,17).
What are the key properties of 2-(2-methyl-2-phenylpropyl)-1-propan-2-ylguanidine?
2-(2-methyl-2-phenylpropyl)-1-propan-2-ylguanidine has a molecular weight of 233.36 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-2-phenylpropyl)-1-propan-2-ylguanidine is sourced from PubChem (CID 62363532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).