3,3,3-trifluoro-2-[[methyl(2-pyridin-2-ylethyl)amino]methyl]propanimidamide

C12H17F3N4 — CID 103370556

IUPAC3,3,3-trifluoro-2-[[methyl(2-pyridin-2-ylethyl)amino]methyl]propanimidamide
SMILES[H]/N=C(\N)C(CN(C)CCc1ccccn1)C(F)(F)F
InChIInChI=1S/C12H17F3N4/c1-19(7-5-9-4-2-3-6-18-9)8-10(11(16)17)12(13,14)15/h2-4,6,10H,5,7-8H2,1H3,(H3,16,17)
InChIKeyDSNVYKKQWYVYCP-UHFFFAOYSA-N
MW274.29 g/mol
LogP1.67
Rot. Bonds6

About 3,3,3-trifluoro-2-[[methyl(2-pyridin-2-ylethyl)amino]methyl]propanimidamide

3,3,3-trifluoro-2-[[methyl(2-pyridin-2-ylethyl)amino]methyl]propanimidamide (PubChem CID 103370556) has the molecular formula C12H17F3N4 and a molecular weight of 274.29 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-[[methyl(2-pyridin-2-ylethyl)amino]methyl]propanimidamide.

Molecular Properties

Compound Name3,3,3-trifluoro-2-[[methyl(2-pyridin-2-ylethyl)amino]methyl]propanimidamide
PubChem CID103370556
Molecular FormulaC12H17F3N4
Molecular Weight274.29 g/mol
Exact Mass274.14
IUPAC Name3,3,3-trifluoro-2-[[methyl(2-pyridin-2-ylethyl)amino]methyl]propanimidamide
SMILES[H]/N=C(\N)C(CN(C)CCc1ccccn1)C(F)(F)F
InChIInChI=1S/C12H17F3N4/c1-19(7-5-9-4-2-3-6-18-9)8-10(11(16)17)12(13,14)15/h2-4,6,10H,5,7-8H2,1H3,(H3,16,17)
InChIKeyDSNVYKKQWYVYCP-UHFFFAOYSA-N
XLogP1.67
TPSA66.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.29
LogP ≤ 51.67
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'}

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Related Compounds

3,3,3-trifluoro-2-(2-pyridin-2-ylethoxymethyl)propanimidamide
CID 103370979
3,3,3-trifluoro-2-[(N-methylanilino)methyl]propanimidamide
CID 103370527
2-methyl-3-[methyl(2-pyridin-2-ylethyl)amino]propanoic acid
CID 43538751
1-[methyl(2-pyridin-2-ylethyl)amino]pentan-2-ol
CID 62042147
2-[[methyl(2-pyridin-2-ylethyl)amino]methyl]butan-1-ol
CID 115251118
3-methoxy-3-methyl-1-[methyl(2-pyridin-2-ylethyl)amino]butan-2-ol
CID 114228723
1-(methylamino)-3-[methyl(2-pyridin-2-ylethyl)amino]propan-2-ol
CID 43187938
N-methyl-2-pyridin-2-yl-N-(pyridin-2-ylmethyl)ethanamine;oxalic acid
CID 2845946
3,3-dimethyl-4-[methyl(2-pyridin-2-ylethyl)amino]butan-2-ol
CID 66454768
N-methyl-N-(2-pyridin-2-ylethyl)prop-1-en-2-amine
CID 178172839
2-[[1-(2-chlorophenyl)ethyl-methylamino]methyl]-3,3,3-trifluoropropanimidamide
CID 103370719
2-chloro-6-[methyl(2-pyridin-2-ylethyl)amino]benzenecarboximidamide
CID 62502784

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-[[methyl(2-pyridin-2-ylethyl)amino]methyl]propanimidamide?
The IUPAC name of 3,3,3-trifluoro-2-[[methyl(2-pyridin-2-ylethyl)amino]methyl]propanimidamide (CID 103370556) is 3,3,3-trifluoro-2-[[methyl(2-pyridin-2-ylethyl)amino]methyl]propanimidamide.
What is the SMILES notation for 3,3,3-trifluoro-2-[[methyl(2-pyridin-2-ylethyl)amino]methyl]propanimidamide?
The canonical SMILES for 3,3,3-trifluoro-2-[[methyl(2-pyridin-2-ylethyl)amino]methyl]propanimidamide is [H]/N=C(\N)C(CN(C)CCc1ccccn1)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-[[methyl(2-pyridin-2-ylethyl)amino]methyl]propanimidamide?
The InChIKey is DSNVYKKQWYVYCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N4/c1-19(7-5-9-4-2-3-6-18-9)8-10(11(16)17)12(13,14)15/h2-4,6,10H,5,7-8H2,1H3,(H3,16,17).
What are the key properties of 3,3,3-trifluoro-2-[[methyl(2-pyridin-2-ylethyl)amino]methyl]propanimidamide?
3,3,3-trifluoro-2-[[methyl(2-pyridin-2-ylethyl)amino]methyl]propanimidamide has a molecular weight of 274.29 g/mol, XLogP of 1.67, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-[[methyl(2-pyridin-2-ylethyl)amino]methyl]propanimidamide is sourced from PubChem (CID 103370556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).