1-butyl-3-(2-fluoroprop-2-enyl)-2-methyl-1-propylguanidine

C12H24FN3 — CID 166131719

IUPAC1-butyl-3-(2-fluoroprop-2-enyl)-2-methyl-1-propylguanidine
SMILESC=C(F)CN/C(=N\C)N(CCC)CCCC
InChIInChI=1S/C12H24FN3/c1-5-7-9-16(8-6-2)12(14-4)15-10-11(3)13/h3,5-10H2,1-2,4H3,(H,14,15)
InChIKeyLNZPHQMIHCCRJF-UHFFFAOYSA-N
MW229.34 g/mol
LogP2.56
Rot. Bonds7

About 1-butyl-3-(2-fluoroprop-2-enyl)-2-methyl-1-propylguanidine

1-butyl-3-(2-fluoroprop-2-enyl)-2-methyl-1-propylguanidine (PubChem CID 166131719) has the molecular formula C12H24FN3 and a molecular weight of 229.34 g/mol. Its IUPAC name is 1-butyl-3-(2-fluoroprop-2-enyl)-2-methyl-1-propylguanidine.

Molecular Properties

Compound Name1-butyl-3-(2-fluoroprop-2-enyl)-2-methyl-1-propylguanidine
PubChem CID166131719
Molecular FormulaC12H24FN3
Molecular Weight229.34 g/mol
Exact Mass229.20
IUPAC Name1-butyl-3-(2-fluoroprop-2-enyl)-2-methyl-1-propylguanidine
SMILESC=C(F)CN/C(=N\C)N(CCC)CCCC
InChIInChI=1S/C12H24FN3/c1-5-7-9-16(8-6-2)12(14-4)15-10-11(3)13/h3,5-10H2,1-2,4H3,(H,14,15)
InChIKeyLNZPHQMIHCCRJF-UHFFFAOYSA-N
XLogP2.56
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.34
LogP ≤ 52.56
H-Bond Donors ≤ 51
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

1,2,3-Tris(prop-2-enyl)-1-propylguanidine
CID 53891653
1-[4-(Diethylamino)butyl]-2-methyl-3-prop-2-enylguanidine;hydroiodide
CID 110980504
1-[4-(Diethylamino)butyl]-2-methyl-3-prop-2-enylguanidine
CID 110980505
1-[4-(Diethylamino)butyl]-2-(2-methylprop-2-enyl)guanidine
CID 111060027
1,1,2-Trimethyl-3-(2-methylprop-2-enyl)guanidine;hydroiodide
CID 130701598
1,1,2-Trimethyl-3-(2-methylprop-2-enyl)guanidine
CID 130701599
2-[4-(Diethylamino)butyl]-1-prop-2-enylguanidine
CID 136700136
2-[4-(Diethylamino)butyl]-1-ethyl-3-prop-2-enylguanidine;hydroiodide
CID 136925525
2-[4-(Diethylamino)butyl]-1-ethyl-3-prop-2-enylguanidine
CID 136925526

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-(2-fluoroprop-2-enyl)-2-methyl-1-propylguanidine?
The IUPAC name of 1-butyl-3-(2-fluoroprop-2-enyl)-2-methyl-1-propylguanidine (CID 166131719) is 1-butyl-3-(2-fluoroprop-2-enyl)-2-methyl-1-propylguanidine.
What is the SMILES notation for 1-butyl-3-(2-fluoroprop-2-enyl)-2-methyl-1-propylguanidine?
The canonical SMILES for 1-butyl-3-(2-fluoroprop-2-enyl)-2-methyl-1-propylguanidine is C=C(F)CN/C(=N\C)N(CCC)CCCC.
What is the InChIKey of 1-butyl-3-(2-fluoroprop-2-enyl)-2-methyl-1-propylguanidine?
The InChIKey is LNZPHQMIHCCRJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24FN3/c1-5-7-9-16(8-6-2)12(14-4)15-10-11(3)13/h3,5-10H2,1-2,4H3,(H,14,15).
What are the key properties of 1-butyl-3-(2-fluoroprop-2-enyl)-2-methyl-1-propylguanidine?
1-butyl-3-(2-fluoroprop-2-enyl)-2-methyl-1-propylguanidine has a molecular weight of 229.34 g/mol, XLogP of 2.56, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-(2-fluoroprop-2-enyl)-2-methyl-1-propylguanidine is sourced from PubChem (CID 166131719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).