1-amino-3-ethyl-2-(4,4,4-trifluorobutyl)guanidine

C7H15F3N4 — CID 104888051

IUPAC1-amino-3-ethyl-2-(4,4,4-trifluorobutyl)guanidine
SMILESCCN/C(=N\CCCC(F)(F)F)NN
InChIInChI=1S/C7H15F3N4/c1-2-12-6(14-11)13-5-3-4-7(8,9)10/h2-5,11H2,1H3,(H2,12,13,14)
InChIKeyGZUBNDLNYBKQBB-UHFFFAOYSA-N
MW212.22 g/mol
LogP0.76
Rot. Bonds4

About 1-amino-3-ethyl-2-(4,4,4-trifluorobutyl)guanidine

1-amino-3-ethyl-2-(4,4,4-trifluorobutyl)guanidine (PubChem CID 104888051) has the molecular formula C7H15F3N4 and a molecular weight of 212.22 g/mol. Its IUPAC name is 1-amino-3-ethyl-2-(4,4,4-trifluorobutyl)guanidine.

Molecular Properties

Compound Name1-amino-3-ethyl-2-(4,4,4-trifluorobutyl)guanidine
PubChem CID104888051
Molecular FormulaC7H15F3N4
Molecular Weight212.22 g/mol
Exact Mass212.12
IUPAC Name1-amino-3-ethyl-2-(4,4,4-trifluorobutyl)guanidine
SMILESCCN/C(=N\CCCC(F)(F)F)NN
InChIInChI=1S/C7H15F3N4/c1-2-12-6(14-11)13-5-3-4-7(8,9)10/h2-5,11H2,1H3,(H2,12,13,14)
InChIKeyGZUBNDLNYBKQBB-UHFFFAOYSA-N
XLogP0.76
TPSA62.44 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.22
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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-3-ethyl-2-(3,3,3-trifluoropropyl)guanidine
CID 104885802
1-amino-3-butyl-2-(4,4,4-trifluorobutyl)guanidine
CID 104888049
1-amino-3-ethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]guanidine
CID 104886394
2-(4,4-dimethylpentyl)-1,3-diethylguanidine
CID 111444529
1-ethyl-2-(3-methoxypropyl)-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 111547876
2-(3-ethoxypropyl)-1-ethyl-3-(3,3,3-trifluoropropyl)guanidine
CID 111778471
1-amino-2-butyl-3-(3,3-dimethylbutyl)guanidine
CID 104888851
1-amino-2,3-dibutylguanidine
CID 116511844
1,3-diethyl-2-[3-(2,2,2-trifluoroethoxy)propyl]guanidine;hydroiodide
CID 110914981
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

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-ethyl-2-(4,4,4-trifluorobutyl)guanidine?
The IUPAC name of 1-amino-3-ethyl-2-(4,4,4-trifluorobutyl)guanidine (CID 104888051) is 1-amino-3-ethyl-2-(4,4,4-trifluorobutyl)guanidine.
What is the SMILES notation for 1-amino-3-ethyl-2-(4,4,4-trifluorobutyl)guanidine?
The canonical SMILES for 1-amino-3-ethyl-2-(4,4,4-trifluorobutyl)guanidine is CCN/C(=N\CCCC(F)(F)F)NN.
What is the InChIKey of 1-amino-3-ethyl-2-(4,4,4-trifluorobutyl)guanidine?
The InChIKey is GZUBNDLNYBKQBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15F3N4/c1-2-12-6(14-11)13-5-3-4-7(8,9)10/h2-5,11H2,1H3,(H2,12,13,14).
What are the key properties of 1-amino-3-ethyl-2-(4,4,4-trifluorobutyl)guanidine?
1-amino-3-ethyl-2-(4,4,4-trifluorobutyl)guanidine has a molecular weight of 212.22 g/mol, XLogP of 0.76, 4 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-(4,4,4-trifluorobutyl)guanidine is sourced from PubChem (CID 104888051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).