1-[(1-ethylcyclobutyl)methyl]-3-[(3-ethyl-1,2-oxazol-5-yl)methyl]-2-methylguanidine

C15H26N4O — CID 109469183

IUPAC1-[(1-ethylcyclobutyl)methyl]-3-[(3-ethyl-1,2-oxazol-5-yl)methyl]-2-methylguanidine
SMILESCCc1cc(CN/C(=N/C)NCC2(CC)CCC2)on1
InChIInChI=1S/C15H26N4O/c1-4-12-9-13(20-19-12)10-17-14(16-3)18-11-15(5-2)7-6-8-15/h9H,4-8,10-11H2,1-3H3,(H2,16,17,18)
InChIKeyFKILIEKTTLWTOM-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.48
Rot. Bonds6

About 1-[(1-ethylcyclobutyl)methyl]-3-[(3-ethyl-1,2-oxazol-5-yl)methyl]-2-methylguanidine

1-[(1-ethylcyclobutyl)methyl]-3-[(3-ethyl-1,2-oxazol-5-yl)methyl]-2-methylguanidine (PubChem CID 109469183) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 1-[(1-ethylcyclobutyl)methyl]-3-[(3-ethyl-1,2-oxazol-5-yl)methyl]-2-methylguanidine.

Molecular Properties

Compound Name1-[(1-ethylcyclobutyl)methyl]-3-[(3-ethyl-1,2-oxazol-5-yl)methyl]-2-methylguanidine
PubChem CID109469183
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name1-[(1-ethylcyclobutyl)methyl]-3-[(3-ethyl-1,2-oxazol-5-yl)methyl]-2-methylguanidine
SMILESCCc1cc(CN/C(=N/C)NCC2(CC)CCC2)on1
InChIInChI=1S/C15H26N4O/c1-4-12-9-13(20-19-12)10-17-14(16-3)18-11-15(5-2)7-6-8-15/h9H,4-8,10-11H2,1-3H3,(H2,16,17,18)
InChIKeyFKILIEKTTLWTOM-UHFFFAOYSA-N
XLogP2.48
TPSA62.45 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[2-[di(propan-2-yl)amino]ethyl]-3-[(3-ethyl-1,2-oxazol-5-yl)methyl]-2-methylguanidine
CID 111783225
1-[(1-ethylcyclobutyl)methyl]-2-methyl-3-[(2-methylpyrazol-3-yl)methyl]guanidine
CID 109470066
1-[(1-ethylcyclobutyl)methyl]-2-methyl-3-[(6-methyl-2-pyridinyl)methyl]guanidine
CID 109470292
1-[(1-ethylcyclobutyl)methyl]-2-methyl-3-[(2-methyl-1,3-thiazol-5-yl)methyl]guanidine;hydroiodide
CID 109468548
1-[(1-ethylcyclobutyl)methyl]-2-methyl-3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]guanidine;hydroiodide
CID 109470033
1-[(1-ethylcyclobutyl)methyl]-2-methyl-3-[(2,4,5-trimethoxyphenyl)methyl]guanidine
CID 109469059
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-3-[(1-ethylcyclobutyl)methyl]-2-methylguanidine
CID 109470020
1-[(1-ethylcyclobutyl)methyl]-2-methyl-3-[(5-phenyl-1,3-oxazol-2-yl)methyl]guanidine
CID 109468743
1-(3-cyclohexyloxypropyl)-3-[(3-ethyl-1,2-oxazol-5-yl)methyl]-2-methylguanidine
CID 111786991
1-[[6-(diethylamino)-3-pyridinyl]methyl]-3-[(1-ethylcyclobutyl)methyl]-2-methylguanidine
CID 109469624
1-[(1-ethylcyclobutyl)methyl]-2-methyl-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]guanidine;hydroiodide
CID 109470890
1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-2-methyl-3-[(2-phenyl-1,3-oxazol-4-yl)methyl]guanidine
CID 111980647

Frequently Asked Questions

What is the IUPAC name of 1-[(1-ethylcyclobutyl)methyl]-3-[(3-ethyl-1,2-oxazol-5-yl)methyl]-2-methylguanidine?
The IUPAC name of 1-[(1-ethylcyclobutyl)methyl]-3-[(3-ethyl-1,2-oxazol-5-yl)methyl]-2-methylguanidine (CID 109469183) is 1-[(1-ethylcyclobutyl)methyl]-3-[(3-ethyl-1,2-oxazol-5-yl)methyl]-2-methylguanidine.
What is the SMILES notation for 1-[(1-ethylcyclobutyl)methyl]-3-[(3-ethyl-1,2-oxazol-5-yl)methyl]-2-methylguanidine?
The canonical SMILES for 1-[(1-ethylcyclobutyl)methyl]-3-[(3-ethyl-1,2-oxazol-5-yl)methyl]-2-methylguanidine is CCc1cc(CN/C(=N/C)NCC2(CC)CCC2)on1.
What is the InChIKey of 1-[(1-ethylcyclobutyl)methyl]-3-[(3-ethyl-1,2-oxazol-5-yl)methyl]-2-methylguanidine?
The InChIKey is FKILIEKTTLWTOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-4-12-9-13(20-19-12)10-17-14(16-3)18-11-15(5-2)7-6-8-15/h9H,4-8,10-11H2,1-3H3,(H2,16,17,18).
What are the key properties of 1-[(1-ethylcyclobutyl)methyl]-3-[(3-ethyl-1,2-oxazol-5-yl)methyl]-2-methylguanidine?
1-[(1-ethylcyclobutyl)methyl]-3-[(3-ethyl-1,2-oxazol-5-yl)methyl]-2-methylguanidine has a molecular weight of 278.40 g/mol, XLogP of 2.48, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-ethylcyclobutyl)methyl]-3-[(3-ethyl-1,2-oxazol-5-yl)methyl]-2-methylguanidine is sourced from PubChem (CID 109469183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).