2-(4-methylpentan-2-yl)-1-phenylguanidine

C13H21N3 — CID 62362763

IUPAC2-(4-methylpentan-2-yl)-1-phenylguanidine
SMILESCC(C)CC(C)/N=C(\N)Nc1ccccc1
InChIInChI=1S/C13H21N3/c1-10(2)9-11(3)15-13(14)16-12-7-5-4-6-8-12/h4-8,10-11H,9H2,1-3H3,(H3,14,15,16)
InChIKeyVSZVBTGJCSIJSO-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.85
Rot. Bonds4

About 2-(4-methylpentan-2-yl)-1-phenylguanidine

2-(4-methylpentan-2-yl)-1-phenylguanidine (PubChem CID 62362763) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is 2-(4-methylpentan-2-yl)-1-phenylguanidine.

Molecular Properties

Compound Name2-(4-methylpentan-2-yl)-1-phenylguanidine
PubChem CID62362763
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name2-(4-methylpentan-2-yl)-1-phenylguanidine
SMILESCC(C)CC(C)/N=C(\N)Nc1ccccc1
InChIInChI=1S/C13H21N3/c1-10(2)9-11(3)15-13(14)16-12-7-5-4-6-8-12/h4-8,10-11H,9H2,1-3H3,(H3,14,15,16)
InChIKeyVSZVBTGJCSIJSO-UHFFFAOYSA-N
XLogP2.85
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.85
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-(4-methylpentan-2-yl)-1-phenylguanidine 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-(1-methoxypropan-2-yl)-1-phenylguanidine
CID 62364056
1-phenyl-2-(1-phenylpropyl)guanidine
CID 20811726
2-[1-(furan-2-yl)ethyl]-1-phenylguanidine
CID 55064252
1-amino-2-(5-methylhexan-2-yl)-3-phenylguanidine
CID 116515342
1-phenyl-2-[1-(1H-1,2,4-triazol-5-yl)ethyl]guanidine
CID 114168040
2-(4-hydroxy-2-methylpentyl)-1-phenylguanidine;hydroiodide
CID 111456432
2-(5-methylhexyl)-1-phenylguanidine;hydroiodide
CID 111456334
2-(2-methyl-1-thiophen-2-ylpropyl)-1-phenylguanidine
CID 62368230
1-phenyl-2-(2,2,3-trimethylbutyl)guanidine
CID 105412944
2-[1-(2,4-dichlorophenyl)ethyl]-1-phenylguanidine
CID 62363836
(1E)-1-[amino(anilino)methylidene]-2,3-di(propan-2-yl)guanidine
CID 71530093
1-phenyl-2-[1-(1H-pyrazol-4-yl)ethyl]guanidine
CID 114159092

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpentan-2-yl)-1-phenylguanidine?
The IUPAC name of 2-(4-methylpentan-2-yl)-1-phenylguanidine (CID 62362763) is 2-(4-methylpentan-2-yl)-1-phenylguanidine.
What is the SMILES notation for 2-(4-methylpentan-2-yl)-1-phenylguanidine?
The canonical SMILES for 2-(4-methylpentan-2-yl)-1-phenylguanidine is CC(C)CC(C)/N=C(\N)Nc1ccccc1.
What is the InChIKey of 2-(4-methylpentan-2-yl)-1-phenylguanidine?
The InChIKey is VSZVBTGJCSIJSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-10(2)9-11(3)15-13(14)16-12-7-5-4-6-8-12/h4-8,10-11H,9H2,1-3H3,(H3,14,15,16).
What are the key properties of 2-(4-methylpentan-2-yl)-1-phenylguanidine?
2-(4-methylpentan-2-yl)-1-phenylguanidine has a molecular weight of 219.33 g/mol, XLogP of 2.85, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpentan-2-yl)-1-phenylguanidine is sourced from PubChem (CID 62362763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).