1-[(1-ethylcyclobutyl)methyl]-3-(3-fluoropropyl)-2-methylguanidine

C12H24FN3 — CID 109470780

IUPAC1-[(1-ethylcyclobutyl)methyl]-3-(3-fluoropropyl)-2-methylguanidine
SMILESCCC1(CN/C(=N/C)NCCCF)CCC1
InChIInChI=1S/C12H24FN3/c1-3-12(6-4-7-12)10-16-11(14-2)15-9-5-8-13/h3-10H2,1-2H3,(H2,14,15,16)
InChIKeySOYUHVVSOMNBEM-UHFFFAOYSA-N
MW229.34 g/mol
LogP2.09
Rot. Bonds6

About 1-[(1-ethylcyclobutyl)methyl]-3-(3-fluoropropyl)-2-methylguanidine

1-[(1-ethylcyclobutyl)methyl]-3-(3-fluoropropyl)-2-methylguanidine (PubChem CID 109470780) has the molecular formula C12H24FN3 and a molecular weight of 229.34 g/mol. Its IUPAC name is 1-[(1-ethylcyclobutyl)methyl]-3-(3-fluoropropyl)-2-methylguanidine.

Molecular Properties

Compound Name1-[(1-ethylcyclobutyl)methyl]-3-(3-fluoropropyl)-2-methylguanidine
PubChem CID109470780
Molecular FormulaC12H24FN3
Molecular Weight229.34 g/mol
Exact Mass229.20
IUPAC Name1-[(1-ethylcyclobutyl)methyl]-3-(3-fluoropropyl)-2-methylguanidine
SMILESCCC1(CN/C(=N/C)NCCCF)CCC1
InChIInChI=1S/C12H24FN3/c1-3-12(6-4-7-12)10-16-11(14-2)15-9-5-8-13/h3-10H2,1-2H3,(H2,14,15,16)
InChIKeySOYUHVVSOMNBEM-UHFFFAOYSA-N
XLogP2.09
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.34
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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-Ethyl-2-[(1-ethylcyclobutyl)methyl]-3-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]guanidine
CID 109468695
1-Ethyl-2-[(1-ethylcyclobutyl)methyl]-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 109468806
1-Ethyl-2-[(1-ethylcyclobutyl)methyl]-3-(3,3,3-trifluoropropyl)guanidine
CID 109468807
1-Ethyl-2-[(1-ethylcyclobutyl)methyl]-3-(5,5,5-trifluoropentyl)guanidine;hydroiodide
CID 109469266
1-Ethyl-2-[(1-ethylcyclobutyl)methyl]-3-(5,5,5-trifluoropentyl)guanidine
CID 109469267
1-[(1-Ethylcyclobutyl)methyl]-2-methyl-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 109469511
1-[(1-Ethylcyclobutyl)methyl]-2-methyl-3-(3,3,3-trifluoropropyl)guanidine
CID 109469512
1-(2,2-Difluoroethyl)-3-ethyl-2-[(1-ethylcyclobutyl)methyl]guanidine
CID 109469530
1-Ethyl-2-[(1-ethylcyclobutyl)methyl]-3-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]guanidine
CID 109469582
1-(2,2-Difluoroethyl)-3-[(1-ethylcyclobutyl)methyl]-2-methylguanidine
CID 109469866
1-Ethyl-2-[(1-ethylcyclobutyl)methyl]-3-(3-fluoropropyl)guanidine
CID 109470206
1-[(1-Ethylcyclobutyl)methyl]-2-methyl-3-(5,5,5-trifluoropentyl)guanidine;hydroiodide
CID 109470515

Frequently Asked Questions

What is the IUPAC name of 1-[(1-ethylcyclobutyl)methyl]-3-(3-fluoropropyl)-2-methylguanidine?
The IUPAC name of 1-[(1-ethylcyclobutyl)methyl]-3-(3-fluoropropyl)-2-methylguanidine (CID 109470780) is 1-[(1-ethylcyclobutyl)methyl]-3-(3-fluoropropyl)-2-methylguanidine.
What is the SMILES notation for 1-[(1-ethylcyclobutyl)methyl]-3-(3-fluoropropyl)-2-methylguanidine?
The canonical SMILES for 1-[(1-ethylcyclobutyl)methyl]-3-(3-fluoropropyl)-2-methylguanidine is CCC1(CN/C(=N/C)NCCCF)CCC1.
What is the InChIKey of 1-[(1-ethylcyclobutyl)methyl]-3-(3-fluoropropyl)-2-methylguanidine?
The InChIKey is SOYUHVVSOMNBEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24FN3/c1-3-12(6-4-7-12)10-16-11(14-2)15-9-5-8-13/h3-10H2,1-2H3,(H2,14,15,16).
What are the key properties of 1-[(1-ethylcyclobutyl)methyl]-3-(3-fluoropropyl)-2-methylguanidine?
1-[(1-ethylcyclobutyl)methyl]-3-(3-fluoropropyl)-2-methylguanidine has a molecular weight of 229.34 g/mol, XLogP of 2.09, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-ethylcyclobutyl)methyl]-3-(3-fluoropropyl)-2-methylguanidine is sourced from PubChem (CID 109470780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).