2-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide

C13H22F3N3O — CID 103369435

IUPAC2-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
SMILESCN(CC1CC2CCC1C2)CC(C(N)=NO)C(F)(F)F
InChIInChI=1S/C13H22F3N3O/c1-19(6-10-5-8-2-3-9(10)4-8)7-11(12(17)18-20)13(14,15)16/h8-11,20H,2-7H2,1H3,(H2,17,18)
InChIKeyGRBHDFYTAPRWRQ-UHFFFAOYSA-N
MW293.33 g/mol
LogP2.28
Rot. Bonds5

About 2-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide

2-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide (PubChem CID 103369435) has the molecular formula C13H22F3N3O and a molecular weight of 293.33 g/mol. Its IUPAC name is 2-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name2-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
PubChem CID103369435
Molecular FormulaC13H22F3N3O
Molecular Weight293.33 g/mol
Exact Mass293.17
IUPAC Name2-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
SMILESCN(CC1CC2CCC1C2)CC(C(N)=NO)C(F)(F)F
InChIInChI=1S/C13H22F3N3O/c1-19(6-10-5-8-2-3-9(10)4-8)7-11(12(17)18-20)13(14,15)16/h8-11,20H,2-7H2,1H3,(H2,17,18)
InChIKeyGRBHDFYTAPRWRQ-UHFFFAOYSA-N
XLogP2.28
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 52.28
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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Related Compounds

2-[[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103369534
2-[(2-bicyclo[2.2.1]heptanylmethylamino)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103369709
2-[[2-Bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]-3,3,3-trifluoropropanimidamide
CID 103370744
3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-N'-hydroxypentanimidamide
CID 55233826
2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-N'-hydroxybutanimidamide
CID 55233827
3-[2-Bicyclo[2.2.1]heptanylmethyl(methyl)amino]propanimidamide
CID 63683134
3-[2-Bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-methylpropanimidamide
CID 63683135
3-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-N'-hydroxy-2-methylpropanimidamide
CID 64328018
3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-N'-hydroxypentanimidamide
CID 76217821
2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-N'-hydroxybutanimidamide
CID 76217822
2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-N'-hydroxypropanimidamide
CID 77017039
2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-N'-hydroxyethanimidamide
CID 77017042

Frequently Asked Questions

What is the IUPAC name of 2-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide?
The IUPAC name of 2-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide (CID 103369435) is 2-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide.
What is the SMILES notation for 2-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide?
The canonical SMILES for 2-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide is CN(CC1CC2CCC1C2)CC(C(N)=NO)C(F)(F)F.
What is the InChIKey of 2-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide?
The InChIKey is GRBHDFYTAPRWRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3N3O/c1-19(6-10-5-8-2-3-9(10)4-8)7-11(12(17)18-20)13(14,15)16/h8-11,20H,2-7H2,1H3,(H2,17,18).
What are the key properties of 2-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide?
2-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide has a molecular weight of 293.33 g/mol, XLogP of 2.28, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide is sourced from PubChem (CID 103369435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).