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

C8H17F3N4O — CID 104885799

IUPAC1-amino-3-(1-methoxypropan-2-yl)-2-(3,3,3-trifluoropropyl)guanidine
SMILESCOCC(C)N/C(=N/CCC(F)(F)F)NN
InChIInChI=1S/C8H17F3N4O/c1-6(5-16-2)14-7(15-12)13-4-3-8(9,10)11/h6H,3-5,12H2,1-2H3,(H2,13,14,15)
InChIKeyZQVDXBHCZUVSSR-UHFFFAOYSA-N
MW242.24 g/mol
LogP0.38
Rot. Bonds5

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

1-amino-3-(1-methoxypropan-2-yl)-2-(3,3,3-trifluoropropyl)guanidine (PubChem CID 104885799) has the molecular formula C8H17F3N4O and a molecular weight of 242.24 g/mol. Its IUPAC name is 1-amino-3-(1-methoxypropan-2-yl)-2-(3,3,3-trifluoropropyl)guanidine.

Molecular Properties

Compound Name1-amino-3-(1-methoxypropan-2-yl)-2-(3,3,3-trifluoropropyl)guanidine
PubChem CID104885799
Molecular FormulaC8H17F3N4O
Molecular Weight242.24 g/mol
Exact Mass242.14
IUPAC Name1-amino-3-(1-methoxypropan-2-yl)-2-(3,3,3-trifluoropropyl)guanidine
SMILESCOCC(C)N/C(=N/CCC(F)(F)F)NN
InChIInChI=1S/C8H17F3N4O/c1-6(5-16-2)14-7(15-12)13-4-3-8(9,10)11/h6H,3-5,12H2,1-2H3,(H2,13,14,15)
InChIKeyZQVDXBHCZUVSSR-UHFFFAOYSA-N
XLogP0.38
TPSA71.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.24
LogP ≤ 50.38
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'}

Analyze 1-amino-3-(1-methoxypropan-2-yl)-2-(3,3,3-trifluoropropyl)guanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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-(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
3-Amino-2-(1-methoxypropan-2-yl)-1-propan-2-yl-1-(2,2,2-trifluoroethyl)guanidine
CID 104884422
3-Amino-1-ethyl-2-(1-methoxypropan-2-yl)-1-(2,2,2-trifluoroethyl)guanidine
CID 104884431
3-Amino-2-(1-methoxypropan-2-yl)-1-propyl-1-(2,2,2-trifluoroethyl)guanidine
CID 104884474
1-Amino-2-(3-ethoxypropyl)-3-(3,3,3-trifluoropropyl)guanidine
CID 104885801
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
1-Amino-2-butyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]guanidine
CID 104886392

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(1-methoxypropan-2-yl)-2-(3,3,3-trifluoropropyl)guanidine?
The IUPAC name of 1-amino-3-(1-methoxypropan-2-yl)-2-(3,3,3-trifluoropropyl)guanidine (CID 104885799) is 1-amino-3-(1-methoxypropan-2-yl)-2-(3,3,3-trifluoropropyl)guanidine.
What is the SMILES notation for 1-amino-3-(1-methoxypropan-2-yl)-2-(3,3,3-trifluoropropyl)guanidine?
The canonical SMILES for 1-amino-3-(1-methoxypropan-2-yl)-2-(3,3,3-trifluoropropyl)guanidine is COCC(C)N/C(=N/CCC(F)(F)F)NN.
What is the InChIKey of 1-amino-3-(1-methoxypropan-2-yl)-2-(3,3,3-trifluoropropyl)guanidine?
The InChIKey is ZQVDXBHCZUVSSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17F3N4O/c1-6(5-16-2)14-7(15-12)13-4-3-8(9,10)11/h6H,3-5,12H2,1-2H3,(H2,13,14,15).
What are the key properties of 1-amino-3-(1-methoxypropan-2-yl)-2-(3,3,3-trifluoropropyl)guanidine?
1-amino-3-(1-methoxypropan-2-yl)-2-(3,3,3-trifluoropropyl)guanidine has a molecular weight of 242.24 g/mol, XLogP of 0.38, 5 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-(3,3,3-trifluoropropyl)guanidine is sourced from PubChem (CID 104885799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).