1-amino-3-cyclohexyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]guanidine

C11H21F3N4O — CID 104886396

IUPAC1-amino-3-cyclohexyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]guanidine
SMILESNN/C(=N\CCOCC(F)(F)F)NC1CCCCC1
InChIInChI=1S/C11H21F3N4O/c12-11(13,14)8-19-7-6-16-10(18-15)17-9-4-2-1-3-5-9/h9H,1-8,15H2,(H2,16,17,18)
InChIKeyCFSKUWJJYVJEAA-UHFFFAOYSA-N
MW282.31 g/mol
LogP1.31
Rot. Bonds5

About 1-amino-3-cyclohexyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]guanidine

1-amino-3-cyclohexyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]guanidine (PubChem CID 104886396) has the molecular formula C11H21F3N4O and a molecular weight of 282.31 g/mol. Its IUPAC name is 1-amino-3-cyclohexyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]guanidine.

Molecular Properties

Compound Name1-amino-3-cyclohexyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]guanidine
PubChem CID104886396
Molecular FormulaC11H21F3N4O
Molecular Weight282.31 g/mol
Exact Mass282.17
IUPAC Name1-amino-3-cyclohexyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]guanidine
SMILESNN/C(=N\CCOCC(F)(F)F)NC1CCCCC1
InChIInChI=1S/C11H21F3N4O/c12-11(13,14)8-19-7-6-16-10(18-15)17-9-4-2-1-3-5-9/h9H,1-8,15H2,(H2,16,17,18)
InChIKeyCFSKUWJJYVJEAA-UHFFFAOYSA-N
XLogP1.31
TPSA71.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 51.31
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-[2-[(4,4-Difluorocyclohexyl)amino]-2-methoxyethyl]-2-methyl-3-(methylamino)guanidine
CID 132207765
1-Cyclohexyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]guanidine
CID 63363232
1-Cyclohexyl-2-[2-(2,2-difluoroethoxy)ethyl]guanidine
CID 103090732
1-Amino-3-cyclohexyl-2-(2,2,2-trifluoroethyl)guanidine
CID 104883043
1-Amino-3-cyclopentyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]guanidine
CID 104886398
1-Amino-3-propan-2-yl-2-[2-(2,2,2-trifluoroethoxy)ethyl]guanidine
CID 104886399
1-Amino-3-cyclopropyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]guanidine
CID 104886401
1-Amino-3-cyclohexyl-2-(2,2-difluoroethyl)guanidine
CID 104887788
1-Amino-3-cyclohexyl-2-(4,4,4-trifluorobutyl)guanidine
CID 104888053
1-Amino-2-(3-ethoxypropyl)-3-(5,5,5-trifluoropentyl)guanidine
CID 104888071
1-Amino-3-cyclohexyl-2-(5,5,5-trifluoropentyl)guanidine
CID 104888074
1-Amino-3-cyclopropyl-2-[2-(2,2-difluoroethoxy)ethyl]guanidine
CID 105921610

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-cyclohexyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]guanidine?
The IUPAC name of 1-amino-3-cyclohexyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]guanidine (CID 104886396) is 1-amino-3-cyclohexyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]guanidine.
What is the SMILES notation for 1-amino-3-cyclohexyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]guanidine?
The canonical SMILES for 1-amino-3-cyclohexyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]guanidine is NN/C(=N\CCOCC(F)(F)F)NC1CCCCC1.
What is the InChIKey of 1-amino-3-cyclohexyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]guanidine?
The InChIKey is CFSKUWJJYVJEAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N4O/c12-11(13,14)8-19-7-6-16-10(18-15)17-9-4-2-1-3-5-9/h9H,1-8,15H2,(H2,16,17,18).
What are the key properties of 1-amino-3-cyclohexyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]guanidine?
1-amino-3-cyclohexyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]guanidine has a molecular weight of 282.31 g/mol, XLogP of 1.31, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-cyclohexyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]guanidine is sourced from PubChem (CID 104886396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).