1-phenyl-2-(2,2,3-trimethylbutyl)guanidine

C14H23N3 — CID 105412944

IUPAC1-phenyl-2-(2,2,3-trimethylbutyl)guanidine
SMILESCC(C)C(C)(C)C/N=C(\N)Nc1ccccc1
InChIInChI=1S/C14H23N3/c1-11(2)14(3,4)10-16-13(15)17-12-8-6-5-7-9-12/h5-9,11H,10H2,1-4H3,(H3,15,16,17)
InChIKeyZHHGSCGKZJTXBZ-UHFFFAOYSA-N
MW233.36 g/mol
LogP3.10
Rot. Bonds4

About 1-phenyl-2-(2,2,3-trimethylbutyl)guanidine

1-phenyl-2-(2,2,3-trimethylbutyl)guanidine (PubChem CID 105412944) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is 1-phenyl-2-(2,2,3-trimethylbutyl)guanidine.

Molecular Properties

Compound Name1-phenyl-2-(2,2,3-trimethylbutyl)guanidine
PubChem CID105412944
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name1-phenyl-2-(2,2,3-trimethylbutyl)guanidine
SMILESCC(C)C(C)(C)C/N=C(\N)Nc1ccccc1
InChIInChI=1S/C14H23N3/c1-11(2)14(3,4)10-16-13(15)17-12-8-6-5-7-9-12/h5-9,11H,10H2,1-4H3,(H3,15,16,17)
InChIKeyZHHGSCGKZJTXBZ-UHFFFAOYSA-N
XLogP3.10
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 ≤ 53.10
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

2-(2-methyl-2-methylsulfanylpropyl)-1-phenylguanidine
CID 111478633
2-(2-methoxy-2-methylpropyl)-1-phenylguanidine
CID 111465545
2-(4-hydroxy-2,2-dimethylbutyl)-1-phenylguanidine;hydroiodide
CID 111478598
2-[2-(methanesulfonamido)-2-methylpropyl]-1-phenylguanidine
CID 63859317
2-(2-methyl-2-thiophen-2-ylpropyl)-1-phenylguanidine
CID 78963226
1-(4-methylphenyl)-2-[2-methyl-2-(1-phenylethylamino)propyl]guanidine
CID 111803955
2-(2-hydroxy-2-thiophen-2-ylpropyl)-1-phenylguanidine;hydroiodide
CID 111444563
2-(2,2-diphenylethyl)-1-phenylguanidine
CID 110924821
2-[[4-(2-methylpropoxy)phenyl]methyl]-1-phenylguanidine;hydroiodide
CID 110924612
tert-butyl 3-[[amino(anilino)methylidene]amino]propanoate
CID 111464797
2-(4-hydroxy-2-methylpentyl)-1-phenylguanidine;hydroiodide
CID 111456432
1-phenyl-2-[(1-propan-2-ylcyclopropyl)methyl]guanidine
CID 111970168

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-(2,2,3-trimethylbutyl)guanidine?
The IUPAC name of 1-phenyl-2-(2,2,3-trimethylbutyl)guanidine (CID 105412944) is 1-phenyl-2-(2,2,3-trimethylbutyl)guanidine.
What is the SMILES notation for 1-phenyl-2-(2,2,3-trimethylbutyl)guanidine?
The canonical SMILES for 1-phenyl-2-(2,2,3-trimethylbutyl)guanidine is CC(C)C(C)(C)C/N=C(\N)Nc1ccccc1.
What is the InChIKey of 1-phenyl-2-(2,2,3-trimethylbutyl)guanidine?
The InChIKey is ZHHGSCGKZJTXBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-11(2)14(3,4)10-16-13(15)17-12-8-6-5-7-9-12/h5-9,11H,10H2,1-4H3,(H3,15,16,17).
What are the key properties of 1-phenyl-2-(2,2,3-trimethylbutyl)guanidine?
1-phenyl-2-(2,2,3-trimethylbutyl)guanidine has a molecular weight of 233.36 g/mol, XLogP of 3.10, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-(2,2,3-trimethylbutyl)guanidine is sourced from PubChem (CID 105412944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).