1-amino-3-(3-methoxypropyl)-2-(2,2,2-trifluoroethyl)guanidine

C7H15F3N4O — CID 104883044

IUPAC1-amino-3-(3-methoxypropyl)-2-(2,2,2-trifluoroethyl)guanidine
SMILESCOCCCN/C(=N\CC(F)(F)F)NN
InChIInChI=1S/C7H15F3N4O/c1-15-4-2-3-12-6(14-11)13-5-7(8,9)10/h2-5,11H2,1H3,(H2,12,13,14)
InChIKeyYDEFQVOAZMBWMT-UHFFFAOYSA-N
MW228.22 g/mol
LogP-0.01
Rot. Bonds5

About 1-amino-3-(3-methoxypropyl)-2-(2,2,2-trifluoroethyl)guanidine

1-amino-3-(3-methoxypropyl)-2-(2,2,2-trifluoroethyl)guanidine (PubChem CID 104883044) has the molecular formula C7H15F3N4O and a molecular weight of 228.22 g/mol. Its IUPAC name is 1-amino-3-(3-methoxypropyl)-2-(2,2,2-trifluoroethyl)guanidine.

Molecular Properties

Compound Name1-amino-3-(3-methoxypropyl)-2-(2,2,2-trifluoroethyl)guanidine
PubChem CID104883044
Molecular FormulaC7H15F3N4O
Molecular Weight228.22 g/mol
Exact Mass228.12
IUPAC Name1-amino-3-(3-methoxypropyl)-2-(2,2,2-trifluoroethyl)guanidine
SMILESCOCCCN/C(=N\CC(F)(F)F)NN
InChIInChI=1S/C7H15F3N4O/c1-15-4-2-3-12-6(14-11)13-5-7(8,9)10/h2-5,11H2,1H3,(H2,12,13,14)
InChIKeyYDEFQVOAZMBWMT-UHFFFAOYSA-N
XLogP-0.01
TPSA71.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-(3,3,3-trifluoropropyl)guanidine
CID 104882192
1-Amino-2-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]guanidine
CID 104882249
1-Amino-3-(1-methoxypropan-2-yl)-2-(2,2,2-trifluoroethyl)guanidine
CID 104883039
1-Amino-3-(3-ethoxypropyl)-2-(2,2,2-trifluoroethyl)guanidine
CID 104883041
1-Amino-3-propyl-2-(2,2,2-trifluoroethyl)guanidine
CID 104883042
1-Amino-3-(2-methoxyethyl)-2-(2,2,2-trifluoroethyl)guanidine
CID 104883049
3-Amino-2-(3-methoxypropyl)-1-methyl-1-(2,2,2-trifluoroethyl)guanidine
CID 104884160
3-Amino-2-(3-methoxypropyl)-1-propyl-1-(2,2,2-trifluoroethyl)guanidine
CID 104884480
1-Amino-2-(3-ethoxypropyl)-3-(3,3,3-trifluoropropyl)guanidine
CID 104885801
1-Amino-2-propyl-3-(3,3,3-trifluoropropyl)guanidine
CID 104885803
1-Amino-2-(3-methoxypropyl)-3-(3,3,3-trifluoropropyl)guanidine
CID 104885804
1-Amino-3-(2-methoxyethyl)-2-(3,3,3-trifluoropropyl)guanidine
CID 104885809

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(3-methoxypropyl)-2-(2,2,2-trifluoroethyl)guanidine?
The IUPAC name of 1-amino-3-(3-methoxypropyl)-2-(2,2,2-trifluoroethyl)guanidine (CID 104883044) is 1-amino-3-(3-methoxypropyl)-2-(2,2,2-trifluoroethyl)guanidine.
What is the SMILES notation for 1-amino-3-(3-methoxypropyl)-2-(2,2,2-trifluoroethyl)guanidine?
The canonical SMILES for 1-amino-3-(3-methoxypropyl)-2-(2,2,2-trifluoroethyl)guanidine is COCCCN/C(=N\CC(F)(F)F)NN.
What is the InChIKey of 1-amino-3-(3-methoxypropyl)-2-(2,2,2-trifluoroethyl)guanidine?
The InChIKey is YDEFQVOAZMBWMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15F3N4O/c1-15-4-2-3-12-6(14-11)13-5-7(8,9)10/h2-5,11H2,1H3,(H2,12,13,14).
What are the key properties of 1-amino-3-(3-methoxypropyl)-2-(2,2,2-trifluoroethyl)guanidine?
1-amino-3-(3-methoxypropyl)-2-(2,2,2-trifluoroethyl)guanidine has a molecular weight of 228.22 g/mol, XLogP of -0.01, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(3-methoxypropyl)-2-(2,2,2-trifluoroethyl)guanidine is sourced from PubChem (CID 104883044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).