1-cyclopropyl-3-(2-fluoroethyl)-2-methylguanidine

C7H14FN3 — CID 130774185

IUPAC1-cyclopropyl-3-(2-fluoroethyl)-2-methylguanidine
SMILESC/N=C(\NCCF)NC1CC1
InChIInChI=1S/C7H14FN3/c1-9-7(10-5-4-8)11-6-2-3-6/h6H,2-5H2,1H3,(H2,9,10,11)
InChIKeyWSGRKHRYWDYCHF-UHFFFAOYSA-N
MW159.21 g/mol
LogP0.28
Rot. Bonds3

About 1-cyclopropyl-3-(2-fluoroethyl)-2-methylguanidine

1-cyclopropyl-3-(2-fluoroethyl)-2-methylguanidine (PubChem CID 130774185) has the molecular formula C7H14FN3 and a molecular weight of 159.21 g/mol. Its IUPAC name is 1-cyclopropyl-3-(2-fluoroethyl)-2-methylguanidine.

Molecular Properties

Compound Name1-cyclopropyl-3-(2-fluoroethyl)-2-methylguanidine
PubChem CID130774185
Molecular FormulaC7H14FN3
Molecular Weight159.21 g/mol
Exact Mass159.12
IUPAC Name1-cyclopropyl-3-(2-fluoroethyl)-2-methylguanidine
SMILESC/N=C(\NCCF)NC1CC1
InChIInChI=1S/C7H14FN3/c1-9-7(10-5-4-8)11-6-2-3-6/h6H,2-5H2,1H3,(H2,9,10,11)
InChIKeyWSGRKHRYWDYCHF-UHFFFAOYSA-N
XLogP0.28
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.21
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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-methyl-1-(4-methylcyclohexyl)-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 111778538
1-[2-(tert-butylamino)ethyl]-2-methyl-3-(4-methylcyclohexyl)guanidine
CID 111764337
1-(2-butoxyethyl)-3-cyclopropyl-2-methylguanidine;hydroiodide
CID 110934192
1-cyclopentyl-2-methyl-3-[2-(trifluoromethylsulfanyl)ethyl]guanidine
CID 119116672
1-(cyclohexylmethyl)-3-cyclopropyl-2-methylguanidine
CID 95760513
1-cyclobutyl-3-cyclopropyl-2-methylguanidine
CID 130625734
1-cyclopentyl-2-methyl-3-[2-(trifluoromethylsulfanyl)ethyl]guanidine;hydroiodide
CID 119116671
2-methyl-1-(4-methylcyclohexyl)-3-(2-methylsulfonylethyl)guanidine;hydroiodide
CID 111256276
methyl 3-[[N'-methyl-N-(4-methylcyclohexyl)carbamimidoyl]amino]propanoate
CID 111256031
1-(2-ethoxyethyl)-2-methyl-3-(4-methylcyclohexyl)guanidine;hydroiodide
CID 111255944
1-cyclopropyl-2-methyl-3-[3-(2-methylpropoxy)propyl]guanidine;hydroiodide
CID 75511893
1-cyclohexyl-2-methyl-3-(2-methylsulfanylethyl)guanidine;hydroiodide
CID 110958480

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-(2-fluoroethyl)-2-methylguanidine?
The IUPAC name of 1-cyclopropyl-3-(2-fluoroethyl)-2-methylguanidine (CID 130774185) is 1-cyclopropyl-3-(2-fluoroethyl)-2-methylguanidine.
What is the SMILES notation for 1-cyclopropyl-3-(2-fluoroethyl)-2-methylguanidine?
The canonical SMILES for 1-cyclopropyl-3-(2-fluoroethyl)-2-methylguanidine is C/N=C(\NCCF)NC1CC1.
What is the InChIKey of 1-cyclopropyl-3-(2-fluoroethyl)-2-methylguanidine?
The InChIKey is WSGRKHRYWDYCHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14FN3/c1-9-7(10-5-4-8)11-6-2-3-6/h6H,2-5H2,1H3,(H2,9,10,11).
What are the key properties of 1-cyclopropyl-3-(2-fluoroethyl)-2-methylguanidine?
1-cyclopropyl-3-(2-fluoroethyl)-2-methylguanidine has a molecular weight of 159.21 g/mol, XLogP of 0.28, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-(2-fluoroethyl)-2-methylguanidine is sourced from PubChem (CID 130774185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).