2-[[2-[ethyl(methyl)amino]ethylamino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide

C9H19F3N4O — CID 103369688

IUPAC2-[[2-[ethyl(methyl)amino]ethylamino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
SMILESCCN(C)CCNCC(C(N)=NO)C(F)(F)F
InChIInChI=1S/C9H19F3N4O/c1-3-16(2)5-4-14-6-7(8(13)15-17)9(10,11)12/h7,14,17H,3-6H2,1-2H3,(H2,13,15)
InChIKeyIXMARBPWRICRMB-UHFFFAOYSA-N
MW256.27 g/mol
LogP0.45
Rot. Bonds7

About 2-[[2-[ethyl(methyl)amino]ethylamino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide

2-[[2-[ethyl(methyl)amino]ethylamino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide (PubChem CID 103369688) has the molecular formula C9H19F3N4O and a molecular weight of 256.27 g/mol. Its IUPAC name is 2-[[2-[ethyl(methyl)amino]ethylamino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name2-[[2-[ethyl(methyl)amino]ethylamino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
PubChem CID103369688
Molecular FormulaC9H19F3N4O
Molecular Weight256.27 g/mol
Exact Mass256.15
IUPAC Name2-[[2-[ethyl(methyl)amino]ethylamino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
SMILESCCN(C)CCNCC(C(N)=NO)C(F)(F)F
InChIInChI=1S/C9H19F3N4O/c1-3-16(2)5-4-14-6-7(8(13)15-17)9(10,11)12/h7,14,17H,3-6H2,1-2H3,(H2,13,15)
InChIKeyIXMARBPWRICRMB-UHFFFAOYSA-N
XLogP0.45
TPSA73.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.27
LogP ≤ 50.45
H-Bond Donors ≤ 53
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 2-[[2-[ethyl(methyl)amino]ethylamino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide?
The IUPAC name of 2-[[2-[ethyl(methyl)amino]ethylamino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide (CID 103369688) is 2-[[2-[ethyl(methyl)amino]ethylamino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide.
What is the SMILES notation for 2-[[2-[ethyl(methyl)amino]ethylamino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide?
The canonical SMILES for 2-[[2-[ethyl(methyl)amino]ethylamino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide is CCN(C)CCNCC(C(N)=NO)C(F)(F)F.
What is the InChIKey of 2-[[2-[ethyl(methyl)amino]ethylamino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide?
The InChIKey is IXMARBPWRICRMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19F3N4O/c1-3-16(2)5-4-14-6-7(8(13)15-17)9(10,11)12/h7,14,17H,3-6H2,1-2H3,(H2,13,15).
What are the key properties of 2-[[2-[ethyl(methyl)amino]ethylamino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide?
2-[[2-[ethyl(methyl)amino]ethylamino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide has a molecular weight of 256.27 g/mol, XLogP of 0.45, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[ethyl(methyl)amino]ethylamino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide is sourced from PubChem (CID 103369688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).