1-amino-3-(2-fluoroethyl)-2-propylguanidine

C6H15FN4 — CID 130505160

IUPAC1-amino-3-(2-fluoroethyl)-2-propylguanidine
SMILESCCC/N=C(\NN)NCCF
InChIInChI=1S/C6H15FN4/c1-2-4-9-6(11-8)10-5-3-7/h2-5,8H2,1H3,(H2,9,10,11)
InChIKeyLORJMGAVBRRLDZ-UHFFFAOYSA-N
MW162.21 g/mol
LogP-0.23
Rot. Bonds4

About 1-amino-3-(2-fluoroethyl)-2-propylguanidine

1-amino-3-(2-fluoroethyl)-2-propylguanidine (PubChem CID 130505160) has the molecular formula C6H15FN4 and a molecular weight of 162.21 g/mol. Its IUPAC name is 1-amino-3-(2-fluoroethyl)-2-propylguanidine.

Molecular Properties

Compound Name1-amino-3-(2-fluoroethyl)-2-propylguanidine
PubChem CID130505160
Molecular FormulaC6H15FN4
Molecular Weight162.21 g/mol
Exact Mass162.13
IUPAC Name1-amino-3-(2-fluoroethyl)-2-propylguanidine
SMILESCCC/N=C(\NN)NCCF
InChIInChI=1S/C6H15FN4/c1-2-4-9-6(11-8)10-5-3-7/h2-5,8H2,1H3,(H2,9,10,11)
InChIKeyLORJMGAVBRRLDZ-UHFFFAOYSA-N
XLogP-0.23
TPSA62.44 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.21
LogP ≤ 5-0.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-amino-3-hexyl-2-propylguanidine
CID 104886641
1-amino-3-[2-(dimethylamino)ethyl]-2-propylguanidine
CID 104882857
1-amino-2,3-dibutylguanidine
CID 116511844
1-amino-3-[2-(methanesulfonamido)ethyl]-2-propylguanidine
CID 104883881
1-amino-3-(2-cyclopentyloxyethyl)-2-propylguanidine
CID 104886332
1-amino-3-butyl-2-(4,4,4-trifluorobutyl)guanidine
CID 104888049
1-amino-3-[2-(4-fluoro-2-methylphenyl)ethyl]-2-propylguanidine
CID 116515869
1-amino-3-tert-butyl-2-propylguanidine
CID 104882795
1-amino-2-butyl-3-(3,3-dimethylbutyl)guanidine
CID 104888851
1-amino-3-[2-(1-methylpyrazol-3-yl)ethyl]-2-propylguanidine
CID 106106955
1-amino-2-butyl-3-[2-[ethyl(methyl)amino]ethyl]guanidine
CID 104882550
1-amino-3-butyl-2-(4-methylsulfanylbutyl)guanidine
CID 104888513

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(2-fluoroethyl)-2-propylguanidine?
The IUPAC name of 1-amino-3-(2-fluoroethyl)-2-propylguanidine (CID 130505160) is 1-amino-3-(2-fluoroethyl)-2-propylguanidine.
What is the SMILES notation for 1-amino-3-(2-fluoroethyl)-2-propylguanidine?
The canonical SMILES for 1-amino-3-(2-fluoroethyl)-2-propylguanidine is CCC/N=C(\NN)NCCF.
What is the InChIKey of 1-amino-3-(2-fluoroethyl)-2-propylguanidine?
The InChIKey is LORJMGAVBRRLDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15FN4/c1-2-4-9-6(11-8)10-5-3-7/h2-5,8H2,1H3,(H2,9,10,11).
What are the key properties of 1-amino-3-(2-fluoroethyl)-2-propylguanidine?
1-amino-3-(2-fluoroethyl)-2-propylguanidine has a molecular weight of 162.21 g/mol, XLogP of -0.23, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(2-fluoroethyl)-2-propylguanidine is sourced from PubChem (CID 130505160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).