2-[(2-cyclopentyloxyethylamino)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide

C11H20F3N3O2 — CID 103369719

IUPAC2-[(2-cyclopentyloxyethylamino)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
SMILESNC(=NO)C(CNCCOC1CCCC1)C(F)(F)F
InChIInChI=1S/C11H20F3N3O2/c12-11(13,14)9(10(15)17-18)7-16-5-6-19-8-3-1-2-4-8/h8-9,16,18H,1-7H2,(H2,15,17)
InChIKeyVGJBUKVPCHFJEL-UHFFFAOYSA-N
MW283.29 g/mol
LogP1.46
Rot. Bonds7

About 2-[(2-cyclopentyloxyethylamino)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide

2-[(2-cyclopentyloxyethylamino)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide (PubChem CID 103369719) has the molecular formula C11H20F3N3O2 and a molecular weight of 283.29 g/mol. Its IUPAC name is 2-[(2-cyclopentyloxyethylamino)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name2-[(2-cyclopentyloxyethylamino)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
PubChem CID103369719
Molecular FormulaC11H20F3N3O2
Molecular Weight283.29 g/mol
Exact Mass283.15
IUPAC Name2-[(2-cyclopentyloxyethylamino)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
SMILESNC(=NO)C(CNCCOC1CCCC1)C(F)(F)F
InChIInChI=1S/C11H20F3N3O2/c12-11(13,14)9(10(15)17-18)7-16-5-6-19-8-3-1-2-4-8/h8-9,16,18H,1-7H2,(H2,15,17)
InChIKeyVGJBUKVPCHFJEL-UHFFFAOYSA-N
XLogP1.46
TPSA79.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-hydroxy-2-methyl-3-[2-(2,2,2-trifluoroethoxy)ethylamino]propanimidamide
CID 77028730
2-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103369310
2-[(2-ethoxyethylamino)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103369454
3,3,3-trifluoro-N'-hydroxy-2-[(oxolan-2-ylmethylamino)methyl]propanimidamide
CID 103369555
2-[(2-cyclohexyloxyethylamino)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103369721
3,3,3-trifluoro-N'-hydroxy-2-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]propanimidamide
CID 103369722
2-[(2-butoxyethylamino)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103369764
3,3,3-trifluoro-N'-hydroxy-2-[(oxan-2-ylmethylamino)methyl]propanimidamide
CID 103369782
3,3,3-trifluoro-N'-hydroxy-2-[[2-(3-methylbutoxy)ethylamino]methyl]propanimidamide
CID 103369853
3,3,3-trifluoro-N'-hydroxy-2-[[methyl(2-propan-2-yloxyethyl)amino]methyl]propanimidamide
CID 103370015
3,3,3-trifluoro-N'-hydroxy-2-[[(2-methyloxolan-3-yl)amino]methyl]propanimidamide
CID 103370088
3,3,3-trifluoro-N'-hydroxy-2-[[methyl-(2-methyloxolan-3-yl)amino]methyl]propanimidamide
CID 103370089

Frequently Asked Questions

What is the IUPAC name of 2-[(2-cyclopentyloxyethylamino)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide?
The IUPAC name of 2-[(2-cyclopentyloxyethylamino)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide (CID 103369719) is 2-[(2-cyclopentyloxyethylamino)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide.
What is the SMILES notation for 2-[(2-cyclopentyloxyethylamino)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide?
The canonical SMILES for 2-[(2-cyclopentyloxyethylamino)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide is NC(=NO)C(CNCCOC1CCCC1)C(F)(F)F.
What is the InChIKey of 2-[(2-cyclopentyloxyethylamino)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide?
The InChIKey is VGJBUKVPCHFJEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3N3O2/c12-11(13,14)9(10(15)17-18)7-16-5-6-19-8-3-1-2-4-8/h8-9,16,18H,1-7H2,(H2,15,17).
What are the key properties of 2-[(2-cyclopentyloxyethylamino)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide?
2-[(2-cyclopentyloxyethylamino)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide has a molecular weight of 283.29 g/mol, XLogP of 1.46, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-cyclopentyloxyethylamino)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide is sourced from PubChem (CID 103369719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).