3-[cyclopropyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]-N'-hydroxypropanimidamide

C11H20F3N3O2 — CID 54997630

IUPAC3-[cyclopropyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]-N'-hydroxypropanimidamide
SMILESN/C(CCN(CCCOCC(F)(F)F)C1CC1)=N/O
InChIInChI=1S/C11H20F3N3O2/c12-11(13,14)8-19-7-1-5-17(9-2-3-9)6-4-10(15)16-18/h9,18H,1-8H2,(H2,15,16)
InChIKeyYRLQOMSPYVWBBH-UHFFFAOYSA-N
MW283.29 g/mol
LogP1.56
Rot. Bonds9

About 3-[cyclopropyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]-N'-hydroxypropanimidamide

3-[cyclopropyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]-N'-hydroxypropanimidamide (PubChem CID 54997630) has the molecular formula C11H20F3N3O2 and a molecular weight of 283.29 g/mol. Its IUPAC name is 3-[cyclopropyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name3-[cyclopropyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]-N'-hydroxypropanimidamide
PubChem CID54997630
Molecular FormulaC11H20F3N3O2
Molecular Weight283.29 g/mol
Exact Mass283.15
IUPAC Name3-[cyclopropyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]-N'-hydroxypropanimidamide
SMILESN/C(CCN(CCCOCC(F)(F)F)C1CC1)=N/O
InChIInChI=1S/C11H20F3N3O2/c12-11(13,14)8-19-7-1-5-17(9-2-3-9)6-4-10(15)16-18/h9,18H,1-8H2,(H2,15,16)
InChIKeyYRLQOMSPYVWBBH-UHFFFAOYSA-N
XLogP1.56
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]-N'-hydroxypropanimidamide?
The IUPAC name of 3-[cyclopropyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]-N'-hydroxypropanimidamide (CID 54997630) is 3-[cyclopropyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]-N'-hydroxypropanimidamide.
What is the SMILES notation for 3-[cyclopropyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]-N'-hydroxypropanimidamide?
The canonical SMILES for 3-[cyclopropyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]-N'-hydroxypropanimidamide is N/C(CCN(CCCOCC(F)(F)F)C1CC1)=N/O.
What is the InChIKey of 3-[cyclopropyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]-N'-hydroxypropanimidamide?
The InChIKey is YRLQOMSPYVWBBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3N3O2/c12-11(13,14)8-19-7-1-5-17(9-2-3-9)6-4-10(15)16-18/h9,18H,1-8H2,(H2,15,16).
What are the key properties of 3-[cyclopropyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]-N'-hydroxypropanimidamide?
3-[cyclopropyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]-N'-hydroxypropanimidamide has a molecular weight of 283.29 g/mol, XLogP of 1.56, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]-N'-hydroxypropanimidamide is sourced from PubChem (CID 54997630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).