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

C9H16F3N3O — CID 103370170

IUPAC3,3,3-trifluoro-N'-hydroxy-2-[[(3-methylcyclobutyl)amino]methyl]propanimidamide
SMILESCC1CC(NCC(C(N)=NO)C(F)(F)F)C1
InChIInChI=1S/C9H16F3N3O/c1-5-2-6(3-5)14-4-7(8(13)15-16)9(10,11)12/h5-7,14,16H,2-4H2,1H3,(H2,13,15)
InChIKeyIKYSEMYYQCEHKN-UHFFFAOYSA-N
MW239.24 g/mol
LogP1.30
Rot. Bonds4

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

3,3,3-trifluoro-N'-hydroxy-2-[[(3-methylcyclobutyl)amino]methyl]propanimidamide (PubChem CID 103370170) 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-[[(3-methylcyclobutyl)amino]methyl]propanimidamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N'-hydroxy-2-[[(3-methylcyclobutyl)amino]methyl]propanimidamide
PubChem CID103370170
Molecular FormulaC9H16F3N3O
Molecular Weight239.24 g/mol
Exact Mass239.12
IUPAC Name3,3,3-trifluoro-N'-hydroxy-2-[[(3-methylcyclobutyl)amino]methyl]propanimidamide
SMILESCC1CC(NCC(C(N)=NO)C(F)(F)F)C1
InChIInChI=1S/C9H16F3N3O/c1-5-2-6(3-5)14-4-7(8(13)15-16)9(10,11)12/h5-7,14,16H,2-4H2,1H3,(H2,13,15)
InChIKeyIKYSEMYYQCEHKN-UHFFFAOYSA-N
XLogP1.30
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 ≤ 51.30
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

N'-hydroxy-3-(3,3,3-trifluoropropylamino)pentanimidamide
CID 77030779
3,3,3-trifluoro-N'-hydroxy-2-[[methyl(3-methylbutan-2-yl)amino]methyl]propanimidamide
CID 103369263
3,3,3-trifluoro-N'-hydroxy-2-[[pentyl(propan-2-yl)amino]methyl]propanimidamide
CID 103369344
3,3,3-trifluoro-N'-hydroxy-2-[[methyl(4-methylpentan-2-yl)amino]methyl]propanimidamide
CID 103369346
2-[[butan-2-yl(butyl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103369350
2-[[cyclopropyl(3-methylbutyl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103369353
3,3,3-trifluoro-N'-hydroxy-2-[(propan-2-ylamino)methyl]propanimidamide
CID 103369459
3,3,3-trifluoro-N'-hydroxy-2-[(3-methylbutan-2-ylamino)methyl]propanimidamide
CID 103369461
2-[(cyclohexylamino)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103369471
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

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N'-hydroxy-2-[[(3-methylcyclobutyl)amino]methyl]propanimidamide?
The IUPAC name of 3,3,3-trifluoro-N'-hydroxy-2-[[(3-methylcyclobutyl)amino]methyl]propanimidamide (CID 103370170) is 3,3,3-trifluoro-N'-hydroxy-2-[[(3-methylcyclobutyl)amino]methyl]propanimidamide.
What is the SMILES notation for 3,3,3-trifluoro-N'-hydroxy-2-[[(3-methylcyclobutyl)amino]methyl]propanimidamide?
The canonical SMILES for 3,3,3-trifluoro-N'-hydroxy-2-[[(3-methylcyclobutyl)amino]methyl]propanimidamide is CC1CC(NCC(C(N)=NO)C(F)(F)F)C1.
What is the InChIKey of 3,3,3-trifluoro-N'-hydroxy-2-[[(3-methylcyclobutyl)amino]methyl]propanimidamide?
The InChIKey is IKYSEMYYQCEHKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3N3O/c1-5-2-6(3-5)14-4-7(8(13)15-16)9(10,11)12/h5-7,14,16H,2-4H2,1H3,(H2,13,15).
What are the key properties of 3,3,3-trifluoro-N'-hydroxy-2-[[(3-methylcyclobutyl)amino]methyl]propanimidamide?
3,3,3-trifluoro-N'-hydroxy-2-[[(3-methylcyclobutyl)amino]methyl]propanimidamide has a molecular weight of 239.24 g/mol, XLogP of 1.30, 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-[[(3-methylcyclobutyl)amino]methyl]propanimidamide is sourced from PubChem (CID 103370170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).