3,3,3-trifluoro-N'-hydroxy-2-[[(1-methylcyclobutyl)amino]methyl]propanimidamide

C9H16F3N3O — CID 103370188

IUPAC3,3,3-trifluoro-N'-hydroxy-2-[[(1-methylcyclobutyl)amino]methyl]propanimidamide
SMILESCC1(NCC(C(N)=NO)C(F)(F)F)CCC1
InChIInChI=1S/C9H16F3N3O/c1-8(3-2-4-8)14-5-6(7(13)15-16)9(10,11)12/h6,14,16H,2-5H2,1H3,(H2,13,15)
InChIKeyKPFXFJJOHDYVHY-UHFFFAOYSA-N
MW239.24 g/mol
LogP1.44
Rot. Bonds4

About 3,3,3-trifluoro-N'-hydroxy-2-[[(1-methylcyclobutyl)amino]methyl]propanimidamide

3,3,3-trifluoro-N'-hydroxy-2-[[(1-methylcyclobutyl)amino]methyl]propanimidamide (PubChem CID 103370188) has the molecular formula C9H16F3N3O and a molecular weight of 239.24 g/mol. Its IUPAC name is 3,3,3-trifluoro-N'-hydroxy-2-[[(1-methylcyclobutyl)amino]methyl]propanimidamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N'-hydroxy-2-[[(1-methylcyclobutyl)amino]methyl]propanimidamide
PubChem CID103370188
Molecular FormulaC9H16F3N3O
Molecular Weight239.24 g/mol
Exact Mass239.12
IUPAC Name3,3,3-trifluoro-N'-hydroxy-2-[[(1-methylcyclobutyl)amino]methyl]propanimidamide
SMILESCC1(NCC(C(N)=NO)C(F)(F)F)CCC1
InChIInChI=1S/C9H16F3N3O/c1-8(3-2-4-8)14-5-6(7(13)15-16)9(10,11)12/h6,14,16H,2-5H2,1H3,(H2,13,15)
InChIKeyKPFXFJJOHDYVHY-UHFFFAOYSA-N
XLogP1.44
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.24
LogP ≤ 51.44
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-methylpentan-2-yl)amino]methyl]propanimidamide
CID 103369346
3,3,3-trifluoro-N'-hydroxy-2-[[methyl(2-methylbutan-2-yl)amino]methyl]propanimidamide
CID 103369443
3,3,3-trifluoro-N'-hydroxy-2-[(3-methylbutan-2-ylamino)methyl]propanimidamide
CID 103369461
3,3,3-trifluoro-N'-hydroxy-2-[(2-methylbutan-2-ylamino)methyl]propanimidamide
CID 103369473
2-[(butan-2-ylamino)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103369475
3,3,3-trifluoro-N'-hydroxy-2-[(2-methylpropylamino)methyl]propanimidamide
CID 103369476
3,3,3-trifluoro-N'-hydroxy-2-[(pentan-3-ylamino)methyl]propanimidamide
CID 103369478
3,3,3-trifluoro-N'-hydroxy-2-[(pentylamino)methyl]propanimidamide
CID 103369488
3,3,3-trifluoro-N'-hydroxy-2-[(pentan-2-ylamino)methyl]propanimidamide
CID 103369492
2-(butylaminomethyl)-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103369511
3,3,3-trifluoro-N'-hydroxy-2-[(3-methylbutylamino)methyl]propanimidamide
CID 103369527
2-[[5-(diethylamino)pentan-2-ylamino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103369536

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N'-hydroxy-2-[[(1-methylcyclobutyl)amino]methyl]propanimidamide?
The IUPAC name of 3,3,3-trifluoro-N'-hydroxy-2-[[(1-methylcyclobutyl)amino]methyl]propanimidamide (CID 103370188) is 3,3,3-trifluoro-N'-hydroxy-2-[[(1-methylcyclobutyl)amino]methyl]propanimidamide.
What is the SMILES notation for 3,3,3-trifluoro-N'-hydroxy-2-[[(1-methylcyclobutyl)amino]methyl]propanimidamide?
The canonical SMILES for 3,3,3-trifluoro-N'-hydroxy-2-[[(1-methylcyclobutyl)amino]methyl]propanimidamide is CC1(NCC(C(N)=NO)C(F)(F)F)CCC1.
What is the InChIKey of 3,3,3-trifluoro-N'-hydroxy-2-[[(1-methylcyclobutyl)amino]methyl]propanimidamide?
The InChIKey is KPFXFJJOHDYVHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3N3O/c1-8(3-2-4-8)14-5-6(7(13)15-16)9(10,11)12/h6,14,16H,2-5H2,1H3,(H2,13,15).
What are the key properties of 3,3,3-trifluoro-N'-hydroxy-2-[[(1-methylcyclobutyl)amino]methyl]propanimidamide?
3,3,3-trifluoro-N'-hydroxy-2-[[(1-methylcyclobutyl)amino]methyl]propanimidamide has a molecular weight of 239.24 g/mol, XLogP of 1.44, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N'-hydroxy-2-[[(1-methylcyclobutyl)amino]methyl]propanimidamide is sourced from PubChem (CID 103370188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).