1-amino-2-(3-ethoxypropyl)-3-(5,5,5-trifluoropentyl)guanidine

C11H23F3N4O — CID 104888071

IUPAC1-amino-2-(3-ethoxypropyl)-3-(5,5,5-trifluoropentyl)guanidine
SMILESCCOCCC/N=C(\NN)NCCCCC(F)(F)F
InChIInChI=1S/C11H23F3N4O/c1-2-19-9-5-8-17-10(18-15)16-7-4-3-6-11(12,13)14/h2-9,15H2,1H3,(H2,16,17,18)
InChIKeyCOYUHSKBMGGUQF-UHFFFAOYSA-N
MW284.33 g/mol
LogP1.55
Rot. Bonds9

About 1-amino-2-(3-ethoxypropyl)-3-(5,5,5-trifluoropentyl)guanidine

1-amino-2-(3-ethoxypropyl)-3-(5,5,5-trifluoropentyl)guanidine (PubChem CID 104888071) has the molecular formula C11H23F3N4O and a molecular weight of 284.33 g/mol. Its IUPAC name is 1-amino-2-(3-ethoxypropyl)-3-(5,5,5-trifluoropentyl)guanidine.

Molecular Properties

Compound Name1-amino-2-(3-ethoxypropyl)-3-(5,5,5-trifluoropentyl)guanidine
PubChem CID104888071
Molecular FormulaC11H23F3N4O
Molecular Weight284.33 g/mol
Exact Mass284.18
IUPAC Name1-amino-2-(3-ethoxypropyl)-3-(5,5,5-trifluoropentyl)guanidine
SMILESCCOCCC/N=C(\NN)NCCCCC(F)(F)F
InChIInChI=1S/C11H23F3N4O/c1-2-19-9-5-8-17-10(18-15)16-7-4-3-6-11(12,13)14/h2-9,15H2,1H3,(H2,16,17,18)
InChIKeyCOYUHSKBMGGUQF-UHFFFAOYSA-N
XLogP1.55
TPSA71.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.33
LogP ≤ 51.55
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-3-(3-ethoxypropyl)-2-(2,2,2-trifluoroethyl)guanidine
CID 104883041
1-Amino-3-(3-methoxypropyl)-2-(2,2,2-trifluoroethyl)guanidine
CID 104883044
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-2-butyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]guanidine
CID 104886392
1-Amino-2-(3-ethoxypropyl)-3-[2-(2,2,2-trifluoroethoxy)ethyl]guanidine
CID 104886393
1-Amino-2-propyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]guanidine
CID 104886395
1-Amino-3-cyclohexyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]guanidine
CID 104886396
1-Amino-2-(3-methoxypropyl)-3-[2-(2,2,2-trifluoroethoxy)ethyl]guanidine
CID 104886397
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-2-(2,2-difluoroethyl)-3-(3-ethoxypropyl)guanidine
CID 104887785

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-(3-ethoxypropyl)-3-(5,5,5-trifluoropentyl)guanidine?
The IUPAC name of 1-amino-2-(3-ethoxypropyl)-3-(5,5,5-trifluoropentyl)guanidine (CID 104888071) is 1-amino-2-(3-ethoxypropyl)-3-(5,5,5-trifluoropentyl)guanidine.
What is the SMILES notation for 1-amino-2-(3-ethoxypropyl)-3-(5,5,5-trifluoropentyl)guanidine?
The canonical SMILES for 1-amino-2-(3-ethoxypropyl)-3-(5,5,5-trifluoropentyl)guanidine is CCOCCC/N=C(\NN)NCCCCC(F)(F)F.
What is the InChIKey of 1-amino-2-(3-ethoxypropyl)-3-(5,5,5-trifluoropentyl)guanidine?
The InChIKey is COYUHSKBMGGUQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23F3N4O/c1-2-19-9-5-8-17-10(18-15)16-7-4-3-6-11(12,13)14/h2-9,15H2,1H3,(H2,16,17,18).
What are the key properties of 1-amino-2-(3-ethoxypropyl)-3-(5,5,5-trifluoropentyl)guanidine?
1-amino-2-(3-ethoxypropyl)-3-(5,5,5-trifluoropentyl)guanidine has a molecular weight of 284.33 g/mol, XLogP of 1.55, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-(3-ethoxypropyl)-3-(5,5,5-trifluoropentyl)guanidine is sourced from PubChem (CID 104888071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).