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

C11H22F3N3O2 — CID 103370183

IUPAC2-[(3-butoxypropylamino)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
SMILESCCCCOCCCNCC(C(N)=NO)C(F)(F)F
InChIInChI=1S/C11H22F3N3O2/c1-2-3-6-19-7-4-5-16-8-9(10(15)17-18)11(12,13)14/h9,16,18H,2-8H2,1H3,(H2,15,17)
InChIKeyXFKYTYJCHMAAHM-UHFFFAOYSA-N
MW285.31 g/mol
LogP1.71
Rot. Bonds10

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

2-[(3-butoxypropylamino)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide (PubChem CID 103370183) has the molecular formula C11H22F3N3O2 and a molecular weight of 285.31 g/mol. Its IUPAC name is 2-[(3-butoxypropylamino)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name2-[(3-butoxypropylamino)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
PubChem CID103370183
Molecular FormulaC11H22F3N3O2
Molecular Weight285.31 g/mol
Exact Mass285.17
IUPAC Name2-[(3-butoxypropylamino)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
SMILESCCCCOCCCNCC(C(N)=NO)C(F)(F)F
InChIInChI=1S/C11H22F3N3O2/c1-2-3-6-19-7-4-5-16-8-9(10(15)17-18)11(12,13)14/h9,16,18H,2-8H2,1H3,(H2,15,17)
InChIKeyXFKYTYJCHMAAHM-UHFFFAOYSA-N
XLogP1.71
TPSA79.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 51.71
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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Related Compounds

N'-hydroxy-3-[methyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]propanimidamide
CID 54961975
3-[ethyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]-N'-hydroxy-2-methylpropanimidamide
CID 54987483
3-[ethyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]-N'-hydroxy-2-methylpropanimidamide
CID 54987484
N'-hydroxy-2-methyl-3-[methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanimidamide
CID 54991981
N'-hydroxy-2-methyl-3-[methyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]propanimidamide
CID 54991982
3-[ethyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]-N'-hydroxypropanimidamide
CID 54992505
N'-hydroxy-3-[propan-2-yl-[3-(2,2,2-trifluoroethoxy)propyl]amino]propanimidamide
CID 54997958
3-[ethyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]-N'-hydroxy-2-methylpropanimidamide
CID 76204705
3-[ethyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]-N'-hydroxy-2-methylpropanimidamide
CID 76204706
N'-hydroxy-2-methyl-3-[methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanimidamide
CID 76204946
N'-hydroxy-2-methyl-3-[methyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]propanimidamide
CID 76204947
3-[ethyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]-N'-hydroxypropanimidamide
CID 76205084

Frequently Asked Questions

What is the IUPAC name of 2-[(3-butoxypropylamino)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide?
The IUPAC name of 2-[(3-butoxypropylamino)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide (CID 103370183) is 2-[(3-butoxypropylamino)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide.
What is the SMILES notation for 2-[(3-butoxypropylamino)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide?
The canonical SMILES for 2-[(3-butoxypropylamino)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide is CCCCOCCCNCC(C(N)=NO)C(F)(F)F.
What is the InChIKey of 2-[(3-butoxypropylamino)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide?
The InChIKey is XFKYTYJCHMAAHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F3N3O2/c1-2-3-6-19-7-4-5-16-8-9(10(15)17-18)11(12,13)14/h9,16,18H,2-8H2,1H3,(H2,15,17).
What are the key properties of 2-[(3-butoxypropylamino)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide?
2-[(3-butoxypropylamino)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide has a molecular weight of 285.31 g/mol, XLogP of 1.71, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-butoxypropylamino)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide is sourced from PubChem (CID 103370183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).