2-[(1-ethylcyclobutyl)methyl]-1-(oxolan-2-ylmethyl)guanidine

C13H25N3O — CID 111969230

IUPAC2-[(1-ethylcyclobutyl)methyl]-1-(oxolan-2-ylmethyl)guanidine
SMILESCCC1(C/N=C(\N)NCC2CCCO2)CCC1
InChIInChI=1S/C13H25N3O/c1-2-13(6-4-7-13)10-16-12(14)15-9-11-5-3-8-17-11/h11H,2-10H2,1H3,(H3,14,15,16)
InChIKeyQRQGBUKFQBPJCL-UHFFFAOYSA-N
MW239.36 g/mol
LogP1.65
Rot. Bonds5

About 2-[(1-ethylcyclobutyl)methyl]-1-(oxolan-2-ylmethyl)guanidine

2-[(1-ethylcyclobutyl)methyl]-1-(oxolan-2-ylmethyl)guanidine (PubChem CID 111969230) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 2-[(1-ethylcyclobutyl)methyl]-1-(oxolan-2-ylmethyl)guanidine.

Molecular Properties

Compound Name2-[(1-ethylcyclobutyl)methyl]-1-(oxolan-2-ylmethyl)guanidine
PubChem CID111969230
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name2-[(1-ethylcyclobutyl)methyl]-1-(oxolan-2-ylmethyl)guanidine
SMILESCCC1(C/N=C(\N)NCC2CCCO2)CCC1
InChIInChI=1S/C13H25N3O/c1-2-13(6-4-7-13)10-16-12(14)15-9-11-5-3-8-17-11/h11H,2-10H2,1H3,(H3,14,15,16)
InChIKeyQRQGBUKFQBPJCL-UHFFFAOYSA-N
XLogP1.65
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-methylsulfonylcyclopropyl)methyl]-1-(oxolan-2-ylmethyl)guanidine;hydroiodide
CID 120662757
2-(2-hydroxypropyl)-1-(oxolan-2-ylmethyl)guanidine;hydroiodide
CID 119117160
2-(oxan-4-ylmethyl)-1-(oxolan-2-ylmethyl)guanidine
CID 119118912
2-[[amino-(oxolan-2-ylmethylamino)methylidene]amino]-N-propylacetamide;hydroiodide
CID 110913403
1-cyclopropyl-2-[(1-ethylcyclopentyl)methyl]guanidine
CID 103763188
2-[[1-(2-methoxyphenyl)cyclopentyl]methyl]-1-(oxolan-2-ylmethyl)guanidine;hydroiodide
CID 110926616
1-ethyl-2-[(1-ethylcyclobutyl)methyl]-3-[2-(oxan-2-ylmethylsulfamoyl)ethyl]guanidine
CID 109470738
2-[(4-methylphenyl)methyl]-1-[[(2S)-oxolan-2-yl]methyl]guanidine
CID 95292400
1-(oxolan-2-ylmethyl)-2-[(2-prop-1-en-2-yloxolan-3-yl)methyl]guanidine
CID 122082594
1-(oxolan-2-ylmethyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine
CID 47083307
2-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-1-(oxolan-2-ylmethyl)guanidine;hydroiodide
CID 110924771
2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-1-(oxolan-2-ylmethyl)guanidine
CID 122081866

Frequently Asked Questions

What is the IUPAC name of 2-[(1-ethylcyclobutyl)methyl]-1-(oxolan-2-ylmethyl)guanidine?
The IUPAC name of 2-[(1-ethylcyclobutyl)methyl]-1-(oxolan-2-ylmethyl)guanidine (CID 111969230) is 2-[(1-ethylcyclobutyl)methyl]-1-(oxolan-2-ylmethyl)guanidine.
What is the SMILES notation for 2-[(1-ethylcyclobutyl)methyl]-1-(oxolan-2-ylmethyl)guanidine?
The canonical SMILES for 2-[(1-ethylcyclobutyl)methyl]-1-(oxolan-2-ylmethyl)guanidine is CCC1(C/N=C(\N)NCC2CCCO2)CCC1.
What is the InChIKey of 2-[(1-ethylcyclobutyl)methyl]-1-(oxolan-2-ylmethyl)guanidine?
The InChIKey is QRQGBUKFQBPJCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-2-13(6-4-7-13)10-16-12(14)15-9-11-5-3-8-17-11/h11H,2-10H2,1H3,(H3,14,15,16).
What are the key properties of 2-[(1-ethylcyclobutyl)methyl]-1-(oxolan-2-ylmethyl)guanidine?
2-[(1-ethylcyclobutyl)methyl]-1-(oxolan-2-ylmethyl)guanidine has a molecular weight of 239.36 g/mol, XLogP of 1.65, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-ethylcyclobutyl)methyl]-1-(oxolan-2-ylmethyl)guanidine is sourced from PubChem (CID 111969230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).