1-amino-3-(1-methoxypropan-2-yl)-2-(2,2,2-trifluoroethyl)guanidine

C7H15F3N4O — CID 104883039

IUPAC1-amino-3-(1-methoxypropan-2-yl)-2-(2,2,2-trifluoroethyl)guanidine
SMILESCOCC(C)N/C(=N/CC(F)(F)F)NN
InChIInChI=1S/C7H15F3N4O/c1-5(3-15-2)13-6(14-11)12-4-7(8,9)10/h5H,3-4,11H2,1-2H3,(H2,12,13,14)
InChIKeyVOTQDFHGOBSQOP-UHFFFAOYSA-N
MW228.22 g/mol
LogP-0.01
Rot. Bonds4

About 1-amino-3-(1-methoxypropan-2-yl)-2-(2,2,2-trifluoroethyl)guanidine

1-amino-3-(1-methoxypropan-2-yl)-2-(2,2,2-trifluoroethyl)guanidine (PubChem CID 104883039) has the molecular formula C7H15F3N4O and a molecular weight of 228.22 g/mol. Its IUPAC name is 1-amino-3-(1-methoxypropan-2-yl)-2-(2,2,2-trifluoroethyl)guanidine.

Molecular Properties

Compound Name1-amino-3-(1-methoxypropan-2-yl)-2-(2,2,2-trifluoroethyl)guanidine
PubChem CID104883039
Molecular FormulaC7H15F3N4O
Molecular Weight228.22 g/mol
Exact Mass228.12
IUPAC Name1-amino-3-(1-methoxypropan-2-yl)-2-(2,2,2-trifluoroethyl)guanidine
SMILESCOCC(C)N/C(=N/CC(F)(F)F)NN
InChIInChI=1S/C7H15F3N4O/c1-5(3-15-2)13-6(14-11)12-4-7(8,9)10/h5H,3-4,11H2,1-2H3,(H2,12,13,14)
InChIKeyVOTQDFHGOBSQOP-UHFFFAOYSA-N
XLogP-0.01
TPSA71.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.22
LogP ≤ 5-0.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-2-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]guanidine
CID 104882249
1-Amino-3-(3-methoxypropyl)-2-(2,2,2-trifluoroethyl)guanidine
CID 104883044
1-Amino-3-(2-methoxyethyl)-2-(2,2,2-trifluoroethyl)guanidine
CID 104883049
3-Amino-2-(1-methoxypropan-2-yl)-1-methyl-1-(2,2,2-trifluoroethyl)guanidine
CID 104884155
1-Amino-3-(1-methoxypropan-2-yl)-2-(3,3,3-trifluoropropyl)guanidine
CID 104885799
1-Amino-3-(2-methoxyethyl)-2-(3,3,3-trifluoropropyl)guanidine
CID 104885809
1-Amino-2-butyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]guanidine
CID 104886392
1-Amino-2-(3-ethoxypropyl)-3-[2-(2,2,2-trifluoroethoxy)ethyl]guanidine
CID 104886393
1-Amino-3-ethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]guanidine
CID 104886394
1-Amino-2-propyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]guanidine
CID 104886395
1-Amino-2-(3-methoxypropyl)-3-[2-(2,2,2-trifluoroethoxy)ethyl]guanidine
CID 104886397
1-Amino-3-propan-2-yl-2-[2-(2,2,2-trifluoroethoxy)ethyl]guanidine
CID 104886399

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(1-methoxypropan-2-yl)-2-(2,2,2-trifluoroethyl)guanidine?
The IUPAC name of 1-amino-3-(1-methoxypropan-2-yl)-2-(2,2,2-trifluoroethyl)guanidine (CID 104883039) is 1-amino-3-(1-methoxypropan-2-yl)-2-(2,2,2-trifluoroethyl)guanidine.
What is the SMILES notation for 1-amino-3-(1-methoxypropan-2-yl)-2-(2,2,2-trifluoroethyl)guanidine?
The canonical SMILES for 1-amino-3-(1-methoxypropan-2-yl)-2-(2,2,2-trifluoroethyl)guanidine is COCC(C)N/C(=N/CC(F)(F)F)NN.
What is the InChIKey of 1-amino-3-(1-methoxypropan-2-yl)-2-(2,2,2-trifluoroethyl)guanidine?
The InChIKey is VOTQDFHGOBSQOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15F3N4O/c1-5(3-15-2)13-6(14-11)12-4-7(8,9)10/h5H,3-4,11H2,1-2H3,(H2,12,13,14).
What are the key properties of 1-amino-3-(1-methoxypropan-2-yl)-2-(2,2,2-trifluoroethyl)guanidine?
1-amino-3-(1-methoxypropan-2-yl)-2-(2,2,2-trifluoroethyl)guanidine has a molecular weight of 228.22 g/mol, XLogP of -0.01, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(1-methoxypropan-2-yl)-2-(2,2,2-trifluoroethyl)guanidine is sourced from PubChem (CID 104883039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).