3,3,3-trifluoro-N'-hydroxy-2-(propylaminomethyl)propanimidamide

C7H14F3N3O — CID 103369564

IUPAC3,3,3-trifluoro-N'-hydroxy-2-(propylaminomethyl)propanimidamide
SMILESCCCNCC(C(N)=NO)C(F)(F)F
InChIInChI=1S/C7H14F3N3O/c1-2-3-12-4-5(6(11)13-14)7(8,9)10/h5,12,14H,2-4H2,1H3,(H2,11,13)
InChIKeyUOCKIWCGFPRRBC-UHFFFAOYSA-N
MW213.20 g/mol
LogP0.91
Rot. Bonds5

About 3,3,3-trifluoro-N'-hydroxy-2-(propylaminomethyl)propanimidamide

3,3,3-trifluoro-N'-hydroxy-2-(propylaminomethyl)propanimidamide (PubChem CID 103369564) has the molecular formula C7H14F3N3O and a molecular weight of 213.20 g/mol. Its IUPAC name is 3,3,3-trifluoro-N'-hydroxy-2-(propylaminomethyl)propanimidamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N'-hydroxy-2-(propylaminomethyl)propanimidamide
PubChem CID103369564
Molecular FormulaC7H14F3N3O
Molecular Weight213.20 g/mol
Exact Mass213.11
IUPAC Name3,3,3-trifluoro-N'-hydroxy-2-(propylaminomethyl)propanimidamide
SMILESCCCNCC(C(N)=NO)C(F)(F)F
InChIInChI=1S/C7H14F3N3O/c1-2-3-12-4-5(6(11)13-14)7(8,9)10/h5,12,14H,2-4H2,1H3,(H2,11,13)
InChIKeyUOCKIWCGFPRRBC-UHFFFAOYSA-N
XLogP0.91
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.20
LogP ≤ 50.91
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'}

Analyze 3,3,3-trifluoro-N'-hydroxy-2-(propylaminomethyl)propanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,3,3-trifluoro-N'-hydroxy-2-[(4-methylpentylamino)methyl]propanimidamide
CID 103369753
3,3,3-trifluoro-N'-hydroxy-2-[(2-hydroxypropylamino)methyl]propanimidamide
CID 103369627
3-[[3,3,3-trifluoro-2-(N'-hydroxycarbamimidoyl)propyl]amino]propanamide
CID 103369640
3,3,3-trifluoro-N'-hydroxy-2-[(3-methoxypropylamino)methyl]propanimidamide
CID 103369608
3,3,3-trifluoro-N'-hydroxy-2-[(5-hydroxypentylamino)methyl]propanimidamide
CID 107317909
3,3,3-trifluoro-N'-hydroxy-2-[(2-methylbutan-2-ylamino)methyl]propanimidamide
CID 103369473
3,3,3-trifluoro-N'-hydroxy-2-[(2-methylprop-2-enylamino)methyl]propanimidamide
CID 103370232
3,3,3-trifluoro-2-[(hex-5-ynylamino)methyl]-N'-hydroxypropanimidamide
CID 106213657
3,3,3-trifluoro-N'-hydroxy-2-[[(2-hydroxy-3-methoxypropyl)amino]methyl]propanimidamide
CID 103369872
2-[(2,3-dimethoxypropylamino)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 114100374
3,3,3-trifluoro-N'-hydroxy-2-[(3-methylbutan-2-ylamino)methyl]propanimidamide
CID 103369461
3,3,3-trifluoro-N'-hydroxy-2-[[(1-methylpiperidin-4-yl)methylamino]methyl]propanimidamide
CID 103369842

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N'-hydroxy-2-(propylaminomethyl)propanimidamide?
The IUPAC name of 3,3,3-trifluoro-N'-hydroxy-2-(propylaminomethyl)propanimidamide (CID 103369564) is 3,3,3-trifluoro-N'-hydroxy-2-(propylaminomethyl)propanimidamide.
What is the SMILES notation for 3,3,3-trifluoro-N'-hydroxy-2-(propylaminomethyl)propanimidamide?
The canonical SMILES for 3,3,3-trifluoro-N'-hydroxy-2-(propylaminomethyl)propanimidamide is CCCNCC(C(N)=NO)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-N'-hydroxy-2-(propylaminomethyl)propanimidamide?
The InChIKey is UOCKIWCGFPRRBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F3N3O/c1-2-3-12-4-5(6(11)13-14)7(8,9)10/h5,12,14H,2-4H2,1H3,(H2,11,13).
What are the key properties of 3,3,3-trifluoro-N'-hydroxy-2-(propylaminomethyl)propanimidamide?
3,3,3-trifluoro-N'-hydroxy-2-(propylaminomethyl)propanimidamide has a molecular weight of 213.20 g/mol, XLogP of 0.91, 5 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-(propylaminomethyl)propanimidamide is sourced from PubChem (CID 103369564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).