N-cyclobutyl-5-(trifluoromethyl)-1,2-dihydropyridin-2-amine

C10H13F3N2 — CID 131970640

IUPACN-cyclobutyl-5-(trifluoromethyl)-1,2-dihydropyridin-2-amine
SMILESFC(F)(F)C1=CNC(NC2CCC2)C=C1
InChIInChI=1S/C10H13F3N2/c11-10(12,13)7-4-5-9(14-6-7)15-8-2-1-3-8/h4-6,8-9,14-15H,1-3H2
InChIKeyDOMNDVYLIYCIHW-UHFFFAOYSA-N
MW218.22 g/mol
LogP2.06
Rot. Bonds2

About N-cyclobutyl-5-(trifluoromethyl)-1,2-dihydropyridin-2-amine

N-cyclobutyl-5-(trifluoromethyl)-1,2-dihydropyridin-2-amine (PubChem CID 131970640) has the molecular formula C10H13F3N2 and a molecular weight of 218.22 g/mol. Its IUPAC name is N-cyclobutyl-5-(trifluoromethyl)-1,2-dihydropyridin-2-amine.

Molecular Properties

Compound NameN-cyclobutyl-5-(trifluoromethyl)-1,2-dihydropyridin-2-amine
PubChem CID131970640
Molecular FormulaC10H13F3N2
Molecular Weight218.22 g/mol
Exact Mass218.10
IUPAC NameN-cyclobutyl-5-(trifluoromethyl)-1,2-dihydropyridin-2-amine
SMILESFC(F)(F)C1=CNC(NC2CCC2)C=C1
InChIInChI=1S/C10H13F3N2/c11-10(12,13)7-4-5-9(14-6-7)15-8-2-1-3-8/h4-6,8-9,14-15H,1-3H2
InChIKeyDOMNDVYLIYCIHW-UHFFFAOYSA-N
XLogP2.06
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-5-(trifluoromethyl)-1,2-dihydropyridin-2-amine
CID 131970485
2-N'-ethyl-3-(2,2,2-trifluoroethyl)-1H-pyridine-2,2-diamine
CID 151032650
2-(Cyclobutylamino)-1,2-dihydropyridine-5-carbonitrile
CID 131970438

Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-5-(trifluoromethyl)-1,2-dihydropyridin-2-amine?
The IUPAC name of N-cyclobutyl-5-(trifluoromethyl)-1,2-dihydropyridin-2-amine (CID 131970640) is N-cyclobutyl-5-(trifluoromethyl)-1,2-dihydropyridin-2-amine.
What is the SMILES notation for N-cyclobutyl-5-(trifluoromethyl)-1,2-dihydropyridin-2-amine?
The canonical SMILES for N-cyclobutyl-5-(trifluoromethyl)-1,2-dihydropyridin-2-amine is FC(F)(F)C1=CNC(NC2CCC2)C=C1.
What is the InChIKey of N-cyclobutyl-5-(trifluoromethyl)-1,2-dihydropyridin-2-amine?
The InChIKey is DOMNDVYLIYCIHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2/c11-10(12,13)7-4-5-9(14-6-7)15-8-2-1-3-8/h4-6,8-9,14-15H,1-3H2.
What are the key properties of N-cyclobutyl-5-(trifluoromethyl)-1,2-dihydropyridin-2-amine?
N-cyclobutyl-5-(trifluoromethyl)-1,2-dihydropyridin-2-amine has a molecular weight of 218.22 g/mol, XLogP of 2.06, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-5-(trifluoromethyl)-1,2-dihydropyridin-2-amine is sourced from PubChem (CID 131970640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).