1-cyclobutyl-2-(2-cyclopropyl-2-phenylethyl)guanidine

C16H23N3 — CID 122096278

IUPAC1-cyclobutyl-2-(2-cyclopropyl-2-phenylethyl)guanidine
SMILESN/C(=N\CC(c1ccccc1)C1CC1)NC1CCC1
InChIInChI=1S/C16H23N3/c17-16(19-14-7-4-8-14)18-11-15(13-9-10-13)12-5-2-1-3-6-12/h1-3,5-6,13-15H,4,7-11H2,(H3,17,18,19)
InChIKeyPPLYKBJIKXAPPL-UHFFFAOYSA-N
MW257.38 g/mol
LogP2.64
Rot. Bonds5

About 1-cyclobutyl-2-(2-cyclopropyl-2-phenylethyl)guanidine

1-cyclobutyl-2-(2-cyclopropyl-2-phenylethyl)guanidine (PubChem CID 122096278) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 1-cyclobutyl-2-(2-cyclopropyl-2-phenylethyl)guanidine.

Molecular Properties

Compound Name1-cyclobutyl-2-(2-cyclopropyl-2-phenylethyl)guanidine
PubChem CID122096278
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name1-cyclobutyl-2-(2-cyclopropyl-2-phenylethyl)guanidine
SMILESN/C(=N\CC(c1ccccc1)C1CC1)NC1CCC1
InChIInChI=1S/C16H23N3/c17-16(19-14-7-4-8-14)18-11-15(13-9-10-13)12-5-2-1-3-6-12/h1-3,5-6,13-15H,4,7-11H2,(H3,17,18,19)
InChIKeyPPLYKBJIKXAPPL-UHFFFAOYSA-N
XLogP2.64
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 52.64
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-cyclopropyl-2-[(2S)-2-phenylpropyl]guanidine
CID 95766819
1-cyclopropyl-2-(2,3-diphenylpropyl)guanidine
CID 166183703
1-cyclohexyl-2-(2-phenylethyl)guanidine
CID 62364481
1-cyclohexyl-2-(2-phenylsulfanylpropyl)guanidine
CID 111676760
2-cyclobutyl-2-phenylethanamine;hydrochloride
CID 155858547
2-[2-(2-chlorophenyl)-2-hydroxyethyl]-1-cyclohexylguanidine
CID 111801100
1-cyclobutyl-2-[[(2R,3S)-2-phenyloxolan-3-yl]methyl]guanidine
CID 122095621
1-cyclopropyl-2-(2-phenoxyethyl)guanidine
CID 62361569
1-cyclohexyl-2-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]guanidine;hydroiodide
CID 111074110
2-cycloheptyl-N-methyl-2-phenylethanamine
CID 82934094
1-cyclohexyl-2-[(1-phenylcyclopropyl)methyl]guanidine;hydroiodide
CID 111038799
1-cyclopropyl-2-(2-phenoxyethyl)guanidine;hydrobromide
CID 126812379

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-2-(2-cyclopropyl-2-phenylethyl)guanidine?
The IUPAC name of 1-cyclobutyl-2-(2-cyclopropyl-2-phenylethyl)guanidine (CID 122096278) is 1-cyclobutyl-2-(2-cyclopropyl-2-phenylethyl)guanidine.
What is the SMILES notation for 1-cyclobutyl-2-(2-cyclopropyl-2-phenylethyl)guanidine?
The canonical SMILES for 1-cyclobutyl-2-(2-cyclopropyl-2-phenylethyl)guanidine is N/C(=N\CC(c1ccccc1)C1CC1)NC1CCC1.
What is the InChIKey of 1-cyclobutyl-2-(2-cyclopropyl-2-phenylethyl)guanidine?
The InChIKey is PPLYKBJIKXAPPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c17-16(19-14-7-4-8-14)18-11-15(13-9-10-13)12-5-2-1-3-6-12/h1-3,5-6,13-15H,4,7-11H2,(H3,17,18,19).
What are the key properties of 1-cyclobutyl-2-(2-cyclopropyl-2-phenylethyl)guanidine?
1-cyclobutyl-2-(2-cyclopropyl-2-phenylethyl)guanidine has a molecular weight of 257.38 g/mol, XLogP of 2.64, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-2-(2-cyclopropyl-2-phenylethyl)guanidine is sourced from PubChem (CID 122096278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).