1-amino-3-ethyl-2-(3,3,3-trifluoropropyl)guanidine

C6H13F3N4 — CID 104885802

IUPAC1-amino-3-ethyl-2-(3,3,3-trifluoropropyl)guanidine
SMILESCCN/C(=N\CCC(F)(F)F)NN
InChIInChI=1S/C6H13F3N4/c1-2-11-5(13-10)12-4-3-6(7,8)9/h2-4,10H2,1H3,(H2,11,12,13)
InChIKeyOFSXDGREXXZKMD-UHFFFAOYSA-N
MW198.19 g/mol
LogP0.37
Rot. Bonds3

About 1-amino-3-ethyl-2-(3,3,3-trifluoropropyl)guanidine

1-amino-3-ethyl-2-(3,3,3-trifluoropropyl)guanidine (PubChem CID 104885802) has the molecular formula C6H13F3N4 and a molecular weight of 198.19 g/mol. Its IUPAC name is 1-amino-3-ethyl-2-(3,3,3-trifluoropropyl)guanidine.

Molecular Properties

Compound Name1-amino-3-ethyl-2-(3,3,3-trifluoropropyl)guanidine
PubChem CID104885802
Molecular FormulaC6H13F3N4
Molecular Weight198.19 g/mol
Exact Mass198.11
IUPAC Name1-amino-3-ethyl-2-(3,3,3-trifluoropropyl)guanidine
SMILESCCN/C(=N\CCC(F)(F)F)NN
InChIInChI=1S/C6H13F3N4/c1-2-11-5(13-10)12-4-3-6(7,8)9/h2-4,10H2,1H3,(H2,11,12,13)
InChIKeyOFSXDGREXXZKMD-UHFFFAOYSA-N
XLogP0.37
TPSA62.44 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.19
LogP ≤ 50.37
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-ethyl-2-(4,4,4-trifluorobutyl)guanidine
CID 104888051
1-amino-3-ethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]guanidine
CID 104886394
1-amino-3-butyl-2-(4,4,4-trifluorobutyl)guanidine
CID 104888049
1-ethyl-3-(2-methylsulfanylethyl)-2-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 111778682
1-amino-3-cyclopropyl-2-(3,3,3-trifluoropropyl)guanidine
CID 104885808
1-ethyl-3-[2-(4-methylphenyl)ethyl]-2-(3,3,3-trifluoropropyl)guanidine
CID 111986731
N-tert-butyl-3-[[ethylamino(hydrazinyl)methylidene]amino]propanamide
CID 104888339
1-amino-2-(2,3-dimethylbutyl)-3-ethylguanidine
CID 104886880
1-amino-2-[2-[di(propan-2-yl)amino]ethyl]-3-ethylguanidine
CID 104882910
1-(1-cyclopropylpiperidin-4-yl)-3-ethyl-2-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 111991796
1-ethyl-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-2-(3,3,3-trifluoropropyl)guanidine
CID 111993889
N-ethyl-2-[[ethylamino(hydrazinyl)methylidene]amino]acetamide
CID 104883987

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-ethyl-2-(3,3,3-trifluoropropyl)guanidine?
The IUPAC name of 1-amino-3-ethyl-2-(3,3,3-trifluoropropyl)guanidine (CID 104885802) is 1-amino-3-ethyl-2-(3,3,3-trifluoropropyl)guanidine.
What is the SMILES notation for 1-amino-3-ethyl-2-(3,3,3-trifluoropropyl)guanidine?
The canonical SMILES for 1-amino-3-ethyl-2-(3,3,3-trifluoropropyl)guanidine is CCN/C(=N\CCC(F)(F)F)NN.
What is the InChIKey of 1-amino-3-ethyl-2-(3,3,3-trifluoropropyl)guanidine?
The InChIKey is OFSXDGREXXZKMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13F3N4/c1-2-11-5(13-10)12-4-3-6(7,8)9/h2-4,10H2,1H3,(H2,11,12,13).
What are the key properties of 1-amino-3-ethyl-2-(3,3,3-trifluoropropyl)guanidine?
1-amino-3-ethyl-2-(3,3,3-trifluoropropyl)guanidine has a molecular weight of 198.19 g/mol, XLogP of 0.37, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-ethyl-2-(3,3,3-trifluoropropyl)guanidine is sourced from PubChem (CID 104885802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).