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

C9H16F3N3O — CID 103369280

IUPAC2-[[cyclopropylmethyl(methyl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
SMILESCN(CC1CC1)CC(C(N)=NO)C(F)(F)F
InChIInChI=1S/C9H16F3N3O/c1-15(4-6-2-3-6)5-7(8(13)14-16)9(10,11)12/h6-7,16H,2-5H2,1H3,(H2,13,14)
InChIKeyPMBXEOJPVFIISW-UHFFFAOYSA-N
MW239.24 g/mol
LogP1.25
Rot. Bonds5

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

2-[[cyclopropylmethyl(methyl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide (PubChem CID 103369280) has the molecular formula C9H16F3N3O and a molecular weight of 239.24 g/mol. Its IUPAC name is 2-[[cyclopropylmethyl(methyl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name2-[[cyclopropylmethyl(methyl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
PubChem CID103369280
Molecular FormulaC9H16F3N3O
Molecular Weight239.24 g/mol
Exact Mass239.12
IUPAC Name2-[[cyclopropylmethyl(methyl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
SMILESCN(CC1CC1)CC(C(N)=NO)C(F)(F)F
InChIInChI=1S/C9H16F3N3O/c1-15(4-6-2-3-6)5-7(8(13)14-16)9(10,11)12/h6-7,16H,2-5H2,1H3,(H2,13,14)
InChIKeyPMBXEOJPVFIISW-UHFFFAOYSA-N
XLogP1.25
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.24
LogP ≤ 51.25
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'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-N'-hydroxypentanimidamide
CID 55011238
N'-hydroxy-5-[propyl(2,2,2-trifluoroethyl)amino]pentanimidamide
CID 55011287
N'-hydroxy-2-methyl-3-[methyl(2,2,2-trifluoroethyl)amino]propanimidamide
CID 60890994
N'-hydroxy-5-[methyl(2,2,2-trifluoroethyl)amino]pentanimidamide
CID 61524362
3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-N'-hydroxypentanimidamide
CID 76206084
N'-hydroxy-5-[propyl(2,2,2-trifluoroethyl)amino]pentanimidamide
CID 76206090
3-[ethyl(2,2,2-trifluoroethyl)amino]-N'-hydroxy-2-methylpropanimidamide
CID 76910344
3-[2,2-difluoroethyl(ethyl)amino]-N'-hydroxy-2-methylpropanimidamide
CID 76910355
3-[2,2-difluoroethyl(methyl)amino]-N'-hydroxy-2-methylpropanimidamide
CID 76910852
N'-hydroxy-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propanimidamide
CID 76911379
3-[2,2-difluoroethyl(propan-2-yl)amino]-N'-hydroxypropanimidamide
CID 76911385
3-[cyclopropyl(2,2-difluoroethyl)amino]-N'-hydroxypropanimidamide
CID 76911842

Frequently Asked Questions

What is the IUPAC name of 2-[[cyclopropylmethyl(methyl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide?
The IUPAC name of 2-[[cyclopropylmethyl(methyl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide (CID 103369280) is 2-[[cyclopropylmethyl(methyl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide.
What is the SMILES notation for 2-[[cyclopropylmethyl(methyl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide?
The canonical SMILES for 2-[[cyclopropylmethyl(methyl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide is CN(CC1CC1)CC(C(N)=NO)C(F)(F)F.
What is the InChIKey of 2-[[cyclopropylmethyl(methyl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide?
The InChIKey is PMBXEOJPVFIISW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3N3O/c1-15(4-6-2-3-6)5-7(8(13)14-16)9(10,11)12/h6-7,16H,2-5H2,1H3,(H2,13,14).
What are the key properties of 2-[[cyclopropylmethyl(methyl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide?
2-[[cyclopropylmethyl(methyl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide has a molecular weight of 239.24 g/mol, XLogP of 1.25, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[cyclopropylmethyl(methyl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide is sourced from PubChem (CID 103369280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).