2-[(2-cyclopropylethylamino)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide

C9H16F3N3O — CID 103369928

IUPAC2-[(2-cyclopropylethylamino)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
SMILESNC(=NO)C(CNCCC1CC1)C(F)(F)F
InChIInChI=1S/C9H16F3N3O/c10-9(11,12)7(8(13)15-16)5-14-4-3-6-1-2-6/h6-7,14,16H,1-5H2,(H2,13,15)
InChIKeyMNIOULQNWROGGJ-UHFFFAOYSA-N
MW239.24 g/mol
LogP1.30
Rot. Bonds6

About 2-[(2-cyclopropylethylamino)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide

2-[(2-cyclopropylethylamino)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide (PubChem CID 103369928) has the molecular formula C9H16F3N3O and a molecular weight of 239.24 g/mol. Its IUPAC name is 2-[(2-cyclopropylethylamino)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name2-[(2-cyclopropylethylamino)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
PubChem CID103369928
Molecular FormulaC9H16F3N3O
Molecular Weight239.24 g/mol
Exact Mass239.12
IUPAC Name2-[(2-cyclopropylethylamino)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
SMILESNC(=NO)C(CNCCC1CC1)C(F)(F)F
InChIInChI=1S/C9H16F3N3O/c10-9(11,12)7(8(13)15-16)5-14-4-3-6-1-2-6/h6-7,14,16H,1-5H2,(H2,13,15)
InChIKeyMNIOULQNWROGGJ-UHFFFAOYSA-N
XLogP1.30
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.24
LogP ≤ 51.30
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-cyclopropylethylamino)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide?
The IUPAC name of 2-[(2-cyclopropylethylamino)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide (CID 103369928) is 2-[(2-cyclopropylethylamino)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide.
What is the SMILES notation for 2-[(2-cyclopropylethylamino)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide?
The canonical SMILES for 2-[(2-cyclopropylethylamino)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide is NC(=NO)C(CNCCC1CC1)C(F)(F)F.
What is the InChIKey of 2-[(2-cyclopropylethylamino)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide?
The InChIKey is MNIOULQNWROGGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3N3O/c10-9(11,12)7(8(13)15-16)5-14-4-3-6-1-2-6/h6-7,14,16H,1-5H2,(H2,13,15).
What are the key properties of 2-[(2-cyclopropylethylamino)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide?
2-[(2-cyclopropylethylamino)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide has a molecular weight of 239.24 g/mol, XLogP of 1.30, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-cyclopropylethylamino)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide is sourced from PubChem (CID 103369928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).