N-cyclopropyl-3-methyl-5-(methylaminomethyl)-N-(2,2,2-trifluoroethyl)pyridin-2-amine

C13H18F3N3 — CID 80630706

IUPACN-cyclopropyl-3-methyl-5-(methylaminomethyl)-N-(2,2,2-trifluoroethyl)pyridin-2-amine
SMILESCNCc1cnc(N(CC(F)(F)F)C2CC2)c(C)c1
InChIInChI=1S/C13H18F3N3/c1-9-5-10(6-17-2)7-18-12(9)19(11-3-4-11)8-13(14,15)16/h5,7,11,17H,3-4,6,8H2,1-2H3
InChIKeyZUWXNRWGXPXEDO-UHFFFAOYSA-N
MW273.30 g/mol
LogP2.64
Rot. Bonds5

About N-cyclopropyl-3-methyl-5-(methylaminomethyl)-N-(2,2,2-trifluoroethyl)pyridin-2-amine

N-cyclopropyl-3-methyl-5-(methylaminomethyl)-N-(2,2,2-trifluoroethyl)pyridin-2-amine (PubChem CID 80630706) has the molecular formula C13H18F3N3 and a molecular weight of 273.30 g/mol. Its IUPAC name is N-cyclopropyl-3-methyl-5-(methylaminomethyl)-N-(2,2,2-trifluoroethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-cyclopropyl-3-methyl-5-(methylaminomethyl)-N-(2,2,2-trifluoroethyl)pyridin-2-amine
PubChem CID80630706
Molecular FormulaC13H18F3N3
Molecular Weight273.30 g/mol
Exact Mass273.15
IUPAC NameN-cyclopropyl-3-methyl-5-(methylaminomethyl)-N-(2,2,2-trifluoroethyl)pyridin-2-amine
SMILESCNCc1cnc(N(CC(F)(F)F)C2CC2)c(C)c1
InChIInChI=1S/C13H18F3N3/c1-9-5-10(6-17-2)7-18-12(9)19(11-3-4-11)8-13(14,15)16/h5,7,11,17H,3-4,6,8H2,1-2H3
InChIKeyZUWXNRWGXPXEDO-UHFFFAOYSA-N
XLogP2.64
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-methyl-5-(methylaminomethyl)-N-(2,2,2-trifluoroethyl)pyridin-2-amine?
The IUPAC name of N-cyclopropyl-3-methyl-5-(methylaminomethyl)-N-(2,2,2-trifluoroethyl)pyridin-2-amine (CID 80630706) is N-cyclopropyl-3-methyl-5-(methylaminomethyl)-N-(2,2,2-trifluoroethyl)pyridin-2-amine.
What is the SMILES notation for N-cyclopropyl-3-methyl-5-(methylaminomethyl)-N-(2,2,2-trifluoroethyl)pyridin-2-amine?
The canonical SMILES for N-cyclopropyl-3-methyl-5-(methylaminomethyl)-N-(2,2,2-trifluoroethyl)pyridin-2-amine is CNCc1cnc(N(CC(F)(F)F)C2CC2)c(C)c1.
What is the InChIKey of N-cyclopropyl-3-methyl-5-(methylaminomethyl)-N-(2,2,2-trifluoroethyl)pyridin-2-amine?
The InChIKey is ZUWXNRWGXPXEDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N3/c1-9-5-10(6-17-2)7-18-12(9)19(11-3-4-11)8-13(14,15)16/h5,7,11,17H,3-4,6,8H2,1-2H3.
What are the key properties of N-cyclopropyl-3-methyl-5-(methylaminomethyl)-N-(2,2,2-trifluoroethyl)pyridin-2-amine?
N-cyclopropyl-3-methyl-5-(methylaminomethyl)-N-(2,2,2-trifluoroethyl)pyridin-2-amine has a molecular weight of 273.30 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-methyl-5-(methylaminomethyl)-N-(2,2,2-trifluoroethyl)pyridin-2-amine is sourced from PubChem (CID 80630706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).