3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-N'-hydroxypentanimidamide

C10H18F3N3O — CID 55011238

IUPAC3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-N'-hydroxypentanimidamide
SMILESCCC(C/C(N)=N/O)N(CC(F)(F)F)C1CC1
InChIInChI=1S/C10H18F3N3O/c1-2-7(5-9(14)15-17)16(8-3-4-8)6-10(11,12)13/h7-8,17H,2-6H2,1H3,(H2,14,15)
InChIKeyBHTRTPPAHNXKDK-UHFFFAOYSA-N
MW253.27 g/mol
LogP1.93
Rot. Bonds6

About 3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-N'-hydroxypentanimidamide

3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-N'-hydroxypentanimidamide (PubChem CID 55011238) has the molecular formula C10H18F3N3O and a molecular weight of 253.27 g/mol. Its IUPAC name is 3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-N'-hydroxypentanimidamide.

Molecular Properties

Compound Name3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-N'-hydroxypentanimidamide
PubChem CID55011238
Molecular FormulaC10H18F3N3O
Molecular Weight253.27 g/mol
Exact Mass253.14
IUPAC Name3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-N'-hydroxypentanimidamide
SMILESCCC(C/C(N)=N/O)N(CC(F)(F)F)C1CC1
InChIInChI=1S/C10H18F3N3O/c1-2-7(5-9(14)15-17)16(8-3-4-8)6-10(11,12)13/h7-8,17H,2-6H2,1H3,(H2,14,15)
InChIKeyBHTRTPPAHNXKDK-UHFFFAOYSA-N
XLogP1.93
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.27
LogP ≤ 51.93
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-N'-hydroxypentanimidamide?
The IUPAC name of 3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-N'-hydroxypentanimidamide (CID 55011238) is 3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-N'-hydroxypentanimidamide.
What is the SMILES notation for 3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-N'-hydroxypentanimidamide?
The canonical SMILES for 3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-N'-hydroxypentanimidamide is CCC(C/C(N)=N/O)N(CC(F)(F)F)C1CC1.
What is the InChIKey of 3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-N'-hydroxypentanimidamide?
The InChIKey is BHTRTPPAHNXKDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3N3O/c1-2-7(5-9(14)15-17)16(8-3-4-8)6-10(11,12)13/h7-8,17H,2-6H2,1H3,(H2,14,15).
What are the key properties of 3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-N'-hydroxypentanimidamide?
3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-N'-hydroxypentanimidamide has a molecular weight of 253.27 g/mol, XLogP of 1.93, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-N'-hydroxypentanimidamide is sourced from PubChem (CID 55011238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).