2-cyclobutyl-1-(4-ethylphenyl)guanidine

C13H19N3 — CID 119146745

IUPAC2-cyclobutyl-1-(4-ethylphenyl)guanidine
SMILESCCc1ccc(N/C(N)=N/C2CCC2)cc1
InChIInChI=1S/C13H19N3/c1-2-10-6-8-12(9-7-10)16-13(14)15-11-4-3-5-11/h6-9,11H,2-5H2,1H3,(H3,14,15,16)
InChIKeyCGHZRUHNDPGDRN-UHFFFAOYSA-N
MW217.32 g/mol
LogP2.53
Rot. Bonds3

About 2-cyclobutyl-1-(4-ethylphenyl)guanidine

2-cyclobutyl-1-(4-ethylphenyl)guanidine (PubChem CID 119146745) has the molecular formula C13H19N3 and a molecular weight of 217.32 g/mol. Its IUPAC name is 2-cyclobutyl-1-(4-ethylphenyl)guanidine.

Molecular Properties

Compound Name2-cyclobutyl-1-(4-ethylphenyl)guanidine
PubChem CID119146745
Molecular FormulaC13H19N3
Molecular Weight217.32 g/mol
Exact Mass217.16
IUPAC Name2-cyclobutyl-1-(4-ethylphenyl)guanidine
SMILESCCc1ccc(N/C(N)=N/C2CCC2)cc1
InChIInChI=1S/C13H19N3/c1-2-10-6-8-12(9-7-10)16-13(14)15-11-4-3-5-11/h6-9,11H,2-5H2,1H3,(H3,14,15,16)
InChIKeyCGHZRUHNDPGDRN-UHFFFAOYSA-N
XLogP2.53
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.32
LogP ≤ 52.53
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-(4-ethylphenyl)-2-(3-hydroxycyclobutyl)guanidine
CID 122098269
1-(4-butylphenyl)-2-cyclopropylguanidine
CID 62378914
1-(4-ethylphenyl)-2-(2-methylcyclobutyl)guanidine
CID 120973983
1-(4-ethylphenyl)-2-(2-methylcyclobutyl)guanidine;hydroiodide
CID 120973982
2-[(1R,2S)-2-cyclopropylcyclopropyl]-1-(4-ethylphenyl)guanidine
CID 120666058
2-(2,2-dimethylcyclopropyl)-1-(4-ethylphenyl)guanidine
CID 119120242
2-cyclohexyl-1-phenylguanidine
CID 10900077
2-cyclobutyl-1-(3,4-dimethoxyphenyl)guanidine
CID 119146747
2-cyclobutyl-1-(3,4-dimethoxyphenyl)guanidine;hydroiodide
CID 119146746
1-(4-ethylphenyl)-2-[3-[4-(trifluoromethyl)piperidin-1-yl]cyclobutyl]guanidine
CID 120662526
2-[2-[cyclopentyl(methyl)amino]ethyl]-1-(4-ethylphenyl)guanidine;hydroiodide
CID 111804118
1-(4-ethylphenyl)-2-(2-propylcyclopropyl)guanidine;hydroiodide
CID 111822782

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-1-(4-ethylphenyl)guanidine?
The IUPAC name of 2-cyclobutyl-1-(4-ethylphenyl)guanidine (CID 119146745) is 2-cyclobutyl-1-(4-ethylphenyl)guanidine.
What is the SMILES notation for 2-cyclobutyl-1-(4-ethylphenyl)guanidine?
The canonical SMILES for 2-cyclobutyl-1-(4-ethylphenyl)guanidine is CCc1ccc(N/C(N)=N/C2CCC2)cc1.
What is the InChIKey of 2-cyclobutyl-1-(4-ethylphenyl)guanidine?
The InChIKey is CGHZRUHNDPGDRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3/c1-2-10-6-8-12(9-7-10)16-13(14)15-11-4-3-5-11/h6-9,11H,2-5H2,1H3,(H3,14,15,16).
What are the key properties of 2-cyclobutyl-1-(4-ethylphenyl)guanidine?
2-cyclobutyl-1-(4-ethylphenyl)guanidine has a molecular weight of 217.32 g/mol, XLogP of 2.53, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-1-(4-ethylphenyl)guanidine is sourced from PubChem (CID 119146745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).