3-[cyclopropyl(3,3,3-trifluoropropyl)amino]-N'-hydroxypropanimidamide

C9H16F3N3O — CID 77046533

IUPAC3-[cyclopropyl(3,3,3-trifluoropropyl)amino]-N'-hydroxypropanimidamide
SMILESNC(CCN(CCC(F)(F)F)C1CC1)=NO
InChIInChI=1S/C9H16F3N3O/c10-9(11,12)4-6-15(7-1-2-7)5-3-8(13)14-16/h7,16H,1-6H2,(H2,13,14)
InChIKeyQSAXPLROWSYCHR-UHFFFAOYSA-N
MW239.24 g/mol
LogP1.54
Rot. Bonds6

About 3-[cyclopropyl(3,3,3-trifluoropropyl)amino]-N'-hydroxypropanimidamide

3-[cyclopropyl(3,3,3-trifluoropropyl)amino]-N'-hydroxypropanimidamide (PubChem CID 77046533) has the molecular formula C9H16F3N3O and a molecular weight of 239.24 g/mol. Its IUPAC name is 3-[cyclopropyl(3,3,3-trifluoropropyl)amino]-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name3-[cyclopropyl(3,3,3-trifluoropropyl)amino]-N'-hydroxypropanimidamide
PubChem CID77046533
Molecular FormulaC9H16F3N3O
Molecular Weight239.24 g/mol
Exact Mass239.12
IUPAC Name3-[cyclopropyl(3,3,3-trifluoropropyl)amino]-N'-hydroxypropanimidamide
SMILESNC(CCN(CCC(F)(F)F)C1CC1)=NO
InChIInChI=1S/C9H16F3N3O/c10-9(11,12)4-6-15(7-1-2-7)5-3-8(13)14-16/h7,16H,1-6H2,(H2,13,14)
InChIKeyQSAXPLROWSYCHR-UHFFFAOYSA-N
XLogP1.54
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.24
LogP ≤ 51.54
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(3,3,3-trifluoropropyl)amino]-N'-hydroxypropanimidamide?
The IUPAC name of 3-[cyclopropyl(3,3,3-trifluoropropyl)amino]-N'-hydroxypropanimidamide (CID 77046533) is 3-[cyclopropyl(3,3,3-trifluoropropyl)amino]-N'-hydroxypropanimidamide.
What is the SMILES notation for 3-[cyclopropyl(3,3,3-trifluoropropyl)amino]-N'-hydroxypropanimidamide?
The canonical SMILES for 3-[cyclopropyl(3,3,3-trifluoropropyl)amino]-N'-hydroxypropanimidamide is NC(CCN(CCC(F)(F)F)C1CC1)=NO.
What is the InChIKey of 3-[cyclopropyl(3,3,3-trifluoropropyl)amino]-N'-hydroxypropanimidamide?
The InChIKey is QSAXPLROWSYCHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3N3O/c10-9(11,12)4-6-15(7-1-2-7)5-3-8(13)14-16/h7,16H,1-6H2,(H2,13,14).
What are the key properties of 3-[cyclopropyl(3,3,3-trifluoropropyl)amino]-N'-hydroxypropanimidamide?
3-[cyclopropyl(3,3,3-trifluoropropyl)amino]-N'-hydroxypropanimidamide has a molecular weight of 239.24 g/mol, XLogP of 1.54, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl(3,3,3-trifluoropropyl)amino]-N'-hydroxypropanimidamide is sourced from PubChem (CID 77046533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).