2-(cyclobutylmethyl)-1-[3-(2-phenylethoxy)propyl]guanidine

C17H27N3O — CID 111074333

IUPAC2-(cyclobutylmethyl)-1-[3-(2-phenylethoxy)propyl]guanidine
SMILESN/C(=N\CC1CCC1)NCCCOCCc1ccccc1
InChIInChI=1S/C17H27N3O/c18-17(20-14-16-8-4-9-16)19-11-5-12-21-13-10-15-6-2-1-3-7-15/h1-3,6-7,16H,4-5,8-14H2,(H3,18,19,20)
InChIKeyFPUDUJFRHFGAAS-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.34
Rot. Bonds9

About 2-(cyclobutylmethyl)-1-[3-(2-phenylethoxy)propyl]guanidine

2-(cyclobutylmethyl)-1-[3-(2-phenylethoxy)propyl]guanidine (PubChem CID 111074333) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 2-(cyclobutylmethyl)-1-[3-(2-phenylethoxy)propyl]guanidine.

Molecular Properties

Compound Name2-(cyclobutylmethyl)-1-[3-(2-phenylethoxy)propyl]guanidine
PubChem CID111074333
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name2-(cyclobutylmethyl)-1-[3-(2-phenylethoxy)propyl]guanidine
SMILESN/C(=N\CC1CCC1)NCCCOCCc1ccccc1
InChIInChI=1S/C17H27N3O/c18-17(20-14-16-8-4-9-16)19-11-5-12-21-13-10-15-6-2-1-3-7-15/h1-3,6-7,16H,4-5,8-14H2,(H3,18,19,20)
InChIKeyFPUDUJFRHFGAAS-UHFFFAOYSA-N
XLogP2.34
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-[4-(4-benzylpiperidin-1-yl)butyl]-2-(cyclobutylmethyl)guanidine
CID 111807968
1-[2-[benzyl(methyl)amino]ethyl]-2-(cyclobutylmethyl)guanidine
CID 111078743
N-[2-[[N'-(cyclobutylmethyl)carbamimidoyl]amino]ethyl]benzamide
CID 111042727
1-(2-butoxyethyl)-2-(cyclobutylmethyl)guanidine;hydroiodide
CID 111075034
2-[3-(2-phenylethoxy)propylcarbamoyl]cyclopropane-1-carboxylic acid
CID 119181917
2-(cyclobutylmethyl)-1-[2-[2-(trifluoromethyl)phenoxy]ethyl]guanidine;hydroiodide
CID 111805667
2-(cyclobutylmethyl)-1-[2-(2-methylphenyl)ethyl]guanidine;hydroiodide
CID 111031290
2-(cyclobutylmethyl)-1-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]guanidine
CID 111975709
1-[2-(benzenesulfonyl)ethyl]-2-(cyclobutylmethyl)guanidine;hydroiodide
CID 111065129
2-(cyclobutylmethyl)-1-[2-(3,4-dimethoxyphenyl)ethyl]guanidine
CID 111025158
2-(cyclobutylmethyl)-1-[3-(oxolan-3-ylmethoxy)propyl]guanidine
CID 111818632
2-(cyclobutylmethyl)-1-[3-(oxolan-2-ylmethoxy)propyl]guanidine;hydroiodide
CID 111036029

Frequently Asked Questions

What is the IUPAC name of 2-(cyclobutylmethyl)-1-[3-(2-phenylethoxy)propyl]guanidine?
The IUPAC name of 2-(cyclobutylmethyl)-1-[3-(2-phenylethoxy)propyl]guanidine (CID 111074333) is 2-(cyclobutylmethyl)-1-[3-(2-phenylethoxy)propyl]guanidine.
What is the SMILES notation for 2-(cyclobutylmethyl)-1-[3-(2-phenylethoxy)propyl]guanidine?
The canonical SMILES for 2-(cyclobutylmethyl)-1-[3-(2-phenylethoxy)propyl]guanidine is N/C(=N\CC1CCC1)NCCCOCCc1ccccc1.
What is the InChIKey of 2-(cyclobutylmethyl)-1-[3-(2-phenylethoxy)propyl]guanidine?
The InChIKey is FPUDUJFRHFGAAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c18-17(20-14-16-8-4-9-16)19-11-5-12-21-13-10-15-6-2-1-3-7-15/h1-3,6-7,16H,4-5,8-14H2,(H3,18,19,20).
What are the key properties of 2-(cyclobutylmethyl)-1-[3-(2-phenylethoxy)propyl]guanidine?
2-(cyclobutylmethyl)-1-[3-(2-phenylethoxy)propyl]guanidine has a molecular weight of 289.42 g/mol, XLogP of 2.34, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclobutylmethyl)-1-[3-(2-phenylethoxy)propyl]guanidine is sourced from PubChem (CID 111074333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).