N'-hydroxy-4-[[1-(trifluoromethyl)cyclopropyl]amino]butanimidamide

C8H14F3N3O — CID 106213712

IUPACN'-hydroxy-4-[[1-(trifluoromethyl)cyclopropyl]amino]butanimidamide
SMILESNC(CCCNC1(C(F)(F)F)CC1)=NO
InChIInChI=1S/C8H14F3N3O/c9-8(10,11)7(3-4-7)13-5-1-2-6(12)14-15/h13,15H,1-5H2,(H2,12,14)
InChIKeyRRUFCXFUSGDDHX-UHFFFAOYSA-N
MW225.21 g/mol
LogP1.20
Rot. Bonds5

About N'-hydroxy-4-[[1-(trifluoromethyl)cyclopropyl]amino]butanimidamide

N'-hydroxy-4-[[1-(trifluoromethyl)cyclopropyl]amino]butanimidamide (PubChem CID 106213712) has the molecular formula C8H14F3N3O and a molecular weight of 225.21 g/mol. Its IUPAC name is N'-hydroxy-4-[[1-(trifluoromethyl)cyclopropyl]amino]butanimidamide.

Molecular Properties

Compound NameN'-hydroxy-4-[[1-(trifluoromethyl)cyclopropyl]amino]butanimidamide
PubChem CID106213712
Molecular FormulaC8H14F3N3O
Molecular Weight225.21 g/mol
Exact Mass225.11
IUPAC NameN'-hydroxy-4-[[1-(trifluoromethyl)cyclopropyl]amino]butanimidamide
SMILESNC(CCCNC1(C(F)(F)F)CC1)=NO
InChIInChI=1S/C8H14F3N3O/c9-8(10,11)7(3-4-7)13-5-1-2-6(12)14-15/h13,15H,1-5H2,(H2,12,14)
InChIKeyRRUFCXFUSGDDHX-UHFFFAOYSA-N
XLogP1.20
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.21
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

4-[cyclopropyl(2,2,2-trifluoroethyl)amino]-N'-hydroxybutanimidamide
CID 76912589
N'-hydroxy-4-(2,2,2-trifluoroethylamino)butanimidamide
CID 77029976
N'-hydroxy-4-(3,3,3-trifluoropropylamino)butanimidamide
CID 77030934
2-[(cyclopropylamino)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103369458
2-[(cyclopropylmethylamino)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103369479
2-[(tert-butylamino)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103369566
3,3,3-trifluoro-N'-hydroxy-2-[[(2-methylcyclopropyl)amino]methyl]propanimidamide
CID 103369701
3,3,3-trifluoro-N'-hydroxy-2-[(4,4,4-trifluorobutylamino)methyl]propanimidamide
CID 103370082
3,3,3-trifluoro-N'-hydroxy-2-[[(1-methylcyclopropyl)amino]methyl]propanimidamide
CID 103370187
N'-hydroxy-4-(4,4,4-trifluorobutan-2-ylamino)butanimidamide
CID 105938410
N'-hydroxy-3-[[1-(trifluoromethyl)cyclopropyl]amino]propanimidamide
CID 106213686
3,3,3-trifluoro-N'-hydroxy-2-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]propanimidamide
CID 106213697

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-[[1-(trifluoromethyl)cyclopropyl]amino]butanimidamide?
The IUPAC name of N'-hydroxy-4-[[1-(trifluoromethyl)cyclopropyl]amino]butanimidamide (CID 106213712) is N'-hydroxy-4-[[1-(trifluoromethyl)cyclopropyl]amino]butanimidamide.
What is the SMILES notation for N'-hydroxy-4-[[1-(trifluoromethyl)cyclopropyl]amino]butanimidamide?
The canonical SMILES for N'-hydroxy-4-[[1-(trifluoromethyl)cyclopropyl]amino]butanimidamide is NC(CCCNC1(C(F)(F)F)CC1)=NO.
What is the InChIKey of N'-hydroxy-4-[[1-(trifluoromethyl)cyclopropyl]amino]butanimidamide?
The InChIKey is RRUFCXFUSGDDHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3N3O/c9-8(10,11)7(3-4-7)13-5-1-2-6(12)14-15/h13,15H,1-5H2,(H2,12,14).
What are the key properties of N'-hydroxy-4-[[1-(trifluoromethyl)cyclopropyl]amino]butanimidamide?
N'-hydroxy-4-[[1-(trifluoromethyl)cyclopropyl]amino]butanimidamide has a molecular weight of 225.21 g/mol, XLogP of 1.20, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-[[1-(trifluoromethyl)cyclopropyl]amino]butanimidamide is sourced from PubChem (CID 106213712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).