2-[(1-ethylcyclobutyl)methyl]-1-(4-methylphenyl)guanidine

C15H23N3 — CID 111969294

IUPAC2-[(1-ethylcyclobutyl)methyl]-1-(4-methylphenyl)guanidine
SMILESCCC1(C/N=C(\N)Nc2ccc(C)cc2)CCC1
InChIInChI=1S/C15H23N3/c1-3-15(9-4-10-15)11-17-14(16)18-13-7-5-12(2)6-8-13/h5-8H,3-4,9-11H2,1-2H3,(H3,16,17,18)
InChIKeyKCYXDEDCZBKISM-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.30
Rot. Bonds4

About 2-[(1-ethylcyclobutyl)methyl]-1-(4-methylphenyl)guanidine

2-[(1-ethylcyclobutyl)methyl]-1-(4-methylphenyl)guanidine (PubChem CID 111969294) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is 2-[(1-ethylcyclobutyl)methyl]-1-(4-methylphenyl)guanidine.

Molecular Properties

Compound Name2-[(1-ethylcyclobutyl)methyl]-1-(4-methylphenyl)guanidine
PubChem CID111969294
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC Name2-[(1-ethylcyclobutyl)methyl]-1-(4-methylphenyl)guanidine
SMILESCCC1(C/N=C(\N)Nc2ccc(C)cc2)CCC1
InChIInChI=1S/C15H23N3/c1-3-15(9-4-10-15)11-17-14(16)18-13-7-5-12(2)6-8-13/h5-8H,3-4,9-11H2,1-2H3,(H3,16,17,18)
InChIKeyKCYXDEDCZBKISM-UHFFFAOYSA-N
XLogP3.30
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.30
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-[(1-ethylcyclobutyl)methyl]-1-(4-methylphenyl)guanidine;hydroiodide
CID 111969293
1-(3,5-dimethylphenyl)-2-[(1-ethylcyclobutyl)methyl]guanidine;hydroiodide
CID 111969315
1-(3,4-dimethylphenyl)-2-[[1-(methylsulfonylmethyl)cyclobutyl]methyl]guanidine
CID 122099393
1-(4-methylphenyl)-2-[(4-pyrrolidin-1-yloxan-4-yl)methyl]guanidine
CID 111804037
1-(3-chloro-4-methoxyphenyl)-2-[(1-ethylcyclopropyl)methyl]guanidine;hydroiodide
CID 111824580
2-[[1-[(dimethylamino)methyl]cyclopentyl]methyl]-1-phenylguanidine;hydroiodide
CID 110033010
2-(2,2-difluoroethyl)-1-(4-methylphenyl)guanidine
CID 111757688
2-[[1-[(dimethylamino)methyl]cyclopentyl]methyl]-1-(4-methoxyphenyl)guanidine;hydroiodide
CID 110033256
1-(3,5-dimethylphenyl)-2-[[1-(hydroxymethyl)cyclopropyl]methyl]guanidine
CID 111601001
2-[(1-methylcyclobutyl)methyl]-1-phenylguanidine;hydroiodide
CID 111824737
1-(3,4-dimethylphenyl)-2-[(1-methylcyclobutyl)methyl]guanidine
CID 111824757
2-[[1-(3-chlorophenyl)cyclopropyl]methyl]-1-(4-methylphenyl)guanidine;hydroiodide
CID 111818335

Frequently Asked Questions

What is the IUPAC name of 2-[(1-ethylcyclobutyl)methyl]-1-(4-methylphenyl)guanidine?
The IUPAC name of 2-[(1-ethylcyclobutyl)methyl]-1-(4-methylphenyl)guanidine (CID 111969294) is 2-[(1-ethylcyclobutyl)methyl]-1-(4-methylphenyl)guanidine.
What is the SMILES notation for 2-[(1-ethylcyclobutyl)methyl]-1-(4-methylphenyl)guanidine?
The canonical SMILES for 2-[(1-ethylcyclobutyl)methyl]-1-(4-methylphenyl)guanidine is CCC1(C/N=C(\N)Nc2ccc(C)cc2)CCC1.
What is the InChIKey of 2-[(1-ethylcyclobutyl)methyl]-1-(4-methylphenyl)guanidine?
The InChIKey is KCYXDEDCZBKISM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3/c1-3-15(9-4-10-15)11-17-14(16)18-13-7-5-12(2)6-8-13/h5-8H,3-4,9-11H2,1-2H3,(H3,16,17,18).
What are the key properties of 2-[(1-ethylcyclobutyl)methyl]-1-(4-methylphenyl)guanidine?
2-[(1-ethylcyclobutyl)methyl]-1-(4-methylphenyl)guanidine has a molecular weight of 245.37 g/mol, XLogP of 3.30, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-ethylcyclobutyl)methyl]-1-(4-methylphenyl)guanidine is sourced from PubChem (CID 111969294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).