N-ethyl-N'-(3,3,3-trifluoro-2-hydroxypropyl)-8-oxa-2-azaspiro[4.5]decane-2-carboximidamide

C14H24F3N3O2 — CID 119154372

IUPACN-ethyl-N'-(3,3,3-trifluoro-2-hydroxypropyl)-8-oxa-2-azaspiro[4.5]decane-2-carboximidamide
SMILESCCN/C(=N\CC(O)C(F)(F)F)N1CCC2(CCOCC2)C1
InChIInChI=1S/C14H24F3N3O2/c1-2-18-12(19-9-11(21)14(15,16)17)20-6-3-13(10-20)4-7-22-8-5-13/h11,21H,2-10H2,1H3,(H,18,19)
InChIKeyZASGNSKJLKTCMO-UHFFFAOYSA-N
MW323.36 g/mol
LogP1.38
Rot. Bonds3

About N-ethyl-N'-(3,3,3-trifluoro-2-hydroxypropyl)-8-oxa-2-azaspiro[4.5]decane-2-carboximidamide

N-ethyl-N'-(3,3,3-trifluoro-2-hydroxypropyl)-8-oxa-2-azaspiro[4.5]decane-2-carboximidamide (PubChem CID 119154372) has the molecular formula C14H24F3N3O2 and a molecular weight of 323.36 g/mol. Its IUPAC name is N-ethyl-N'-(3,3,3-trifluoro-2-hydroxypropyl)-8-oxa-2-azaspiro[4.5]decane-2-carboximidamide.

Molecular Properties

Compound NameN-ethyl-N'-(3,3,3-trifluoro-2-hydroxypropyl)-8-oxa-2-azaspiro[4.5]decane-2-carboximidamide
PubChem CID119154372
Molecular FormulaC14H24F3N3O2
Molecular Weight323.36 g/mol
Exact Mass323.18
IUPAC NameN-ethyl-N'-(3,3,3-trifluoro-2-hydroxypropyl)-8-oxa-2-azaspiro[4.5]decane-2-carboximidamide
SMILESCCN/C(=N\CC(O)C(F)(F)F)N1CCC2(CCOCC2)C1
InChIInChI=1S/C14H24F3N3O2/c1-2-18-12(19-9-11(21)14(15,16)17)20-6-3-13(10-20)4-7-22-8-5-13/h11,21H,2-10H2,1H3,(H,18,19)
InChIKeyZASGNSKJLKTCMO-UHFFFAOYSA-N
XLogP1.38
TPSA57.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N-ethyl-N'-(3,3,3-trifluoro-2-hydroxypropyl)-8-oxa-2-azaspiro[4.5]decane-2-carboximidamide 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

N-ethyl-N'-[(1-hydroxycyclohexyl)methyl]-8-oxa-2-azaspiro[4.5]decane-2-carboximidamide
CID 119152849
N-ethyl-N'-(2-methylpropyl)-2-azaspiro[4.4]nonane-2-carboximidamide
CID 111733329
N-ethyl-N'-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]-8-oxa-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide
CID 119157395
N-ethyl-N'-(2-prop-2-ynylsulfanylethyl)-8-oxa-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide
CID 119160819
N-ethyl-N'-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-2-azaspiro[4.4]nonane-2-carboximidamide
CID 111732689
N-ethyl-N'-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-8-oxa-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide
CID 119157407
N-ethyl-3,3-dimethyl-N'-(2-morpholin-4-ylpropyl)pyrrolidine-1-carboximidamide
CID 111739906
N,N'-diethyl-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide
CID 111745157
N-ethyl-N'-[2-(2-fluorophenyl)-2-hydroxyethyl]-2-azaspiro[4.4]nonane-2-carboximidamide
CID 111994717
N-ethyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]-2-azaspiro[4.4]nonane-2-carboximidamide
CID 111732513
N-ethyl-N'-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-8-oxa-2-azaspiro[4.5]decane-2-carboximidamide
CID 119159958
N-ethyl-4-pyrimidin-2-yl-N'-(3,3,3-trifluoro-2-hydroxypropyl)piperazine-1-carboximidamide
CID 119130694

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-(3,3,3-trifluoro-2-hydroxypropyl)-8-oxa-2-azaspiro[4.5]decane-2-carboximidamide?
The IUPAC name of N-ethyl-N'-(3,3,3-trifluoro-2-hydroxypropyl)-8-oxa-2-azaspiro[4.5]decane-2-carboximidamide (CID 119154372) is N-ethyl-N'-(3,3,3-trifluoro-2-hydroxypropyl)-8-oxa-2-azaspiro[4.5]decane-2-carboximidamide.
What is the SMILES notation for N-ethyl-N'-(3,3,3-trifluoro-2-hydroxypropyl)-8-oxa-2-azaspiro[4.5]decane-2-carboximidamide?
The canonical SMILES for N-ethyl-N'-(3,3,3-trifluoro-2-hydroxypropyl)-8-oxa-2-azaspiro[4.5]decane-2-carboximidamide is CCN/C(=N\CC(O)C(F)(F)F)N1CCC2(CCOCC2)C1.
What is the InChIKey of N-ethyl-N'-(3,3,3-trifluoro-2-hydroxypropyl)-8-oxa-2-azaspiro[4.5]decane-2-carboximidamide?
The InChIKey is ZASGNSKJLKTCMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F3N3O2/c1-2-18-12(19-9-11(21)14(15,16)17)20-6-3-13(10-20)4-7-22-8-5-13/h11,21H,2-10H2,1H3,(H,18,19).
What are the key properties of N-ethyl-N'-(3,3,3-trifluoro-2-hydroxypropyl)-8-oxa-2-azaspiro[4.5]decane-2-carboximidamide?
N-ethyl-N'-(3,3,3-trifluoro-2-hydroxypropyl)-8-oxa-2-azaspiro[4.5]decane-2-carboximidamide has a molecular weight of 323.36 g/mol, XLogP of 1.38, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-(3,3,3-trifluoro-2-hydroxypropyl)-8-oxa-2-azaspiro[4.5]decane-2-carboximidamide is sourced from PubChem (CID 119154372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).