1-ethyl-2-[(1-ethylcyclobutyl)methyl]-3-(3-fluoropropyl)guanidine

C13H26FN3 — CID 109470206

IUPAC1-ethyl-2-[(1-ethylcyclobutyl)methyl]-3-(3-fluoropropyl)guanidine
SMILESCCN/C(=N\CC1(CC)CCC1)NCCCF
InChIInChI=1S/C13H26FN3/c1-3-13(7-5-8-13)11-17-12(15-4-2)16-10-6-9-14/h3-11H2,1-2H3,(H2,15,16,17)
InChIKeyLQHSXISCOSNVGD-UHFFFAOYSA-N
MW243.37 g/mol
LogP2.48
Rot. Bonds7

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

1-ethyl-2-[(1-ethylcyclobutyl)methyl]-3-(3-fluoropropyl)guanidine (PubChem CID 109470206) has the molecular formula C13H26FN3 and a molecular weight of 243.37 g/mol. Its IUPAC name is 1-ethyl-2-[(1-ethylcyclobutyl)methyl]-3-(3-fluoropropyl)guanidine.

Molecular Properties

Compound Name1-ethyl-2-[(1-ethylcyclobutyl)methyl]-3-(3-fluoropropyl)guanidine
PubChem CID109470206
Molecular FormulaC13H26FN3
Molecular Weight243.37 g/mol
Exact Mass243.21
IUPAC Name1-ethyl-2-[(1-ethylcyclobutyl)methyl]-3-(3-fluoropropyl)guanidine
SMILESCCN/C(=N\CC1(CC)CCC1)NCCCF
InChIInChI=1S/C13H26FN3/c1-3-13(7-5-8-13)11-17-12(15-4-2)16-10-6-9-14/h3-11H2,1-2H3,(H2,15,16,17)
InChIKeyLQHSXISCOSNVGD-UHFFFAOYSA-N
XLogP2.48
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.37
LogP ≤ 52.48
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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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[(1-ethylcyclobutyl)methyl]-3-(3-fluoropropyl)guanidine?
The IUPAC name of 1-ethyl-2-[(1-ethylcyclobutyl)methyl]-3-(3-fluoropropyl)guanidine (CID 109470206) is 1-ethyl-2-[(1-ethylcyclobutyl)methyl]-3-(3-fluoropropyl)guanidine.
What is the SMILES notation for 1-ethyl-2-[(1-ethylcyclobutyl)methyl]-3-(3-fluoropropyl)guanidine?
The canonical SMILES for 1-ethyl-2-[(1-ethylcyclobutyl)methyl]-3-(3-fluoropropyl)guanidine is CCN/C(=N\CC1(CC)CCC1)NCCCF.
What is the InChIKey of 1-ethyl-2-[(1-ethylcyclobutyl)methyl]-3-(3-fluoropropyl)guanidine?
The InChIKey is LQHSXISCOSNVGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26FN3/c1-3-13(7-5-8-13)11-17-12(15-4-2)16-10-6-9-14/h3-11H2,1-2H3,(H2,15,16,17).
What are the key properties of 1-ethyl-2-[(1-ethylcyclobutyl)methyl]-3-(3-fluoropropyl)guanidine?
1-ethyl-2-[(1-ethylcyclobutyl)methyl]-3-(3-fluoropropyl)guanidine has a molecular weight of 243.37 g/mol, XLogP of 2.48, 7 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[(1-ethylcyclobutyl)methyl]-3-(3-fluoropropyl)guanidine is sourced from PubChem (CID 109470206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).