2-[[(1-ethylcyclobutyl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide

C10H18F3N3O — CID 103370191

IUPAC2-[[(1-ethylcyclobutyl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
SMILESCCC1(NCC(C(N)=NO)C(F)(F)F)CCC1
InChIInChI=1S/C10H18F3N3O/c1-2-9(4-3-5-9)15-6-7(8(14)16-17)10(11,12)13/h7,15,17H,2-6H2,1H3,(H2,14,16)
InChIKeyNILAERAQDPMUOF-UHFFFAOYSA-N
MW253.27 g/mol
LogP1.83
Rot. Bonds5

About 2-[[(1-ethylcyclobutyl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide

2-[[(1-ethylcyclobutyl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide (PubChem CID 103370191) has the molecular formula C10H18F3N3O and a molecular weight of 253.27 g/mol. Its IUPAC name is 2-[[(1-ethylcyclobutyl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name2-[[(1-ethylcyclobutyl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
PubChem CID103370191
Molecular FormulaC10H18F3N3O
Molecular Weight253.27 g/mol
Exact Mass253.14
IUPAC Name2-[[(1-ethylcyclobutyl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
SMILESCCC1(NCC(C(N)=NO)C(F)(F)F)CCC1
InChIInChI=1S/C10H18F3N3O/c1-2-9(4-3-5-9)15-6-7(8(14)16-17)10(11,12)13/h7,15,17H,2-6H2,1H3,(H2,14,16)
InChIKeyNILAERAQDPMUOF-UHFFFAOYSA-N
XLogP1.83
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.27
LogP ≤ 51.83
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'}

Analyze 2-[[(1-ethylcyclobutyl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide 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

2-[[ethyl(2-ethylbutyl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103369313
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
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
3,3,3-trifluoro-N'-hydroxy-2-[(3-methylbutylamino)methyl]propanimidamide
CID 103369527
2-[(tert-butylamino)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103369566
2-[(cyclobutylmethylamino)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103369614
2-[(1-cyclopropylethylamino)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103369635
3,3,3-trifluoro-2-[(hexan-2-ylamino)methyl]-N'-hydroxypropanimidamide
CID 103369673
3,3,3-trifluoro-2-[(hexan-3-ylamino)methyl]-N'-hydroxypropanimidamide
CID 103369675

Frequently Asked Questions

What is the IUPAC name of 2-[[(1-ethylcyclobutyl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide?
The IUPAC name of 2-[[(1-ethylcyclobutyl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide (CID 103370191) is 2-[[(1-ethylcyclobutyl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide.
What is the SMILES notation for 2-[[(1-ethylcyclobutyl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide?
The canonical SMILES for 2-[[(1-ethylcyclobutyl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide is CCC1(NCC(C(N)=NO)C(F)(F)F)CCC1.
What is the InChIKey of 2-[[(1-ethylcyclobutyl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide?
The InChIKey is NILAERAQDPMUOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3N3O/c1-2-9(4-3-5-9)15-6-7(8(14)16-17)10(11,12)13/h7,15,17H,2-6H2,1H3,(H2,14,16).
What are the key properties of 2-[[(1-ethylcyclobutyl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide?
2-[[(1-ethylcyclobutyl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide has a molecular weight of 253.27 g/mol, XLogP of 1.83, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1-ethylcyclobutyl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide is sourced from PubChem (CID 103370191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).