2-[[[(1S)-1-cyclopentylethyl]amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide

C11H20F3N3O — CID 103370056

IUPAC2-[[[(1S)-1-cyclopentylethyl]amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
SMILESC[C@H](NCC(C(N)=NO)C(F)(F)F)C1CCCC1
InChIInChI=1S/C11H20F3N3O/c1-7(8-4-2-3-5-8)16-6-9(10(15)17-18)11(12,13)14/h7-9,16,18H,2-6H2,1H3,(H2,15,17)/t7-,9?/m0/s1
InChIKeyVKABRPOBWZGWNY-JAVCKPHESA-N
MW267.29 g/mol
LogP2.08
Rot. Bonds5

About 2-[[[(1S)-1-cyclopentylethyl]amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide

2-[[[(1S)-1-cyclopentylethyl]amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide (PubChem CID 103370056) has the molecular formula C11H20F3N3O and a molecular weight of 267.29 g/mol. Its IUPAC name is 2-[[[(1S)-1-cyclopentylethyl]amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name2-[[[(1S)-1-cyclopentylethyl]amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
PubChem CID103370056
Molecular FormulaC11H20F3N3O
Molecular Weight267.29 g/mol
Exact Mass267.16
IUPAC Name2-[[[(1S)-1-cyclopentylethyl]amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
SMILESC[C@H](NCC(C(N)=NO)C(F)(F)F)C1CCCC1
InChIInChI=1S/C11H20F3N3O/c1-7(8-4-2-3-5-8)16-6-9(10(15)17-18)11(12,13)14/h7-9,16,18H,2-6H2,1H3,(H2,15,17)/t7-,9?/m0/s1
InChIKeyVKABRPOBWZGWNY-JAVCKPHESA-N
XLogP2.08
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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

3,3,3-trifluoro-N'-hydroxy-2-[[methyl-(4-methylcyclohexyl)amino]methyl]propanimidamide
CID 103369311
3,3,3-trifluoro-N'-hydroxy-2-[[methyl-(3-methylcyclohexyl)amino]methyl]propanimidamide
CID 103369321
2-[[(4-ethylcyclohexyl)-methylamino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103369326
3,3,3-trifluoro-N'-hydroxy-2-[[methyl-(2-methylcyclohexyl)amino]methyl]propanimidamide
CID 103369352
2-[(2-cyclopentylpyrrolidin-1-yl)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103369369
2-[(2,3-dimethylpiperidin-1-yl)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103369389
2-[(2,4-dimethylpiperidin-1-yl)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103369393
2-[[cyclopentylmethyl(methyl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103369434
2-[[(4-ethylcyclohexyl)methylamino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103369451
2-[(cyclopentylamino)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103369477
3,3,3-trifluoro-N'-hydroxy-2-[(pentan-2-ylamino)methyl]propanimidamide
CID 103369492
3,3,3-trifluoro-N'-hydroxy-2-[[(4-methylcyclohexyl)amino]methyl]propanimidamide
CID 103369543

Frequently Asked Questions

What is the IUPAC name of 2-[[[(1S)-1-cyclopentylethyl]amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide?
The IUPAC name of 2-[[[(1S)-1-cyclopentylethyl]amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide (CID 103370056) is 2-[[[(1S)-1-cyclopentylethyl]amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide.
What is the SMILES notation for 2-[[[(1S)-1-cyclopentylethyl]amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide?
The canonical SMILES for 2-[[[(1S)-1-cyclopentylethyl]amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide is C[C@H](NCC(C(N)=NO)C(F)(F)F)C1CCCC1.
What is the InChIKey of 2-[[[(1S)-1-cyclopentylethyl]amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide?
The InChIKey is VKABRPOBWZGWNY-JAVCKPHESA-N. The full InChI is InChI=1S/C11H20F3N3O/c1-7(8-4-2-3-5-8)16-6-9(10(15)17-18)11(12,13)14/h7-9,16,18H,2-6H2,1H3,(H2,15,17)/t7-,9?/m0/s1.
What are the key properties of 2-[[[(1S)-1-cyclopentylethyl]amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide?
2-[[[(1S)-1-cyclopentylethyl]amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide has a molecular weight of 267.29 g/mol, XLogP of 2.08, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[(1S)-1-cyclopentylethyl]amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide is sourced from PubChem (CID 103370056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).