6-N-(1-cyclopropylethyl)-2-N,6-N-dimethyl-4-(trifluoromethyl)pyridine-2,6-diamine

C13H18F3N3 — CID 102717599

IUPAC6-N-(1-cyclopropylethyl)-2-N,6-N-dimethyl-4-(trifluoromethyl)pyridine-2,6-diamine
SMILESCNc1cc(C(F)(F)F)cc(N(C)C(C)C2CC2)n1
InChIInChI=1S/C13H18F3N3/c1-8(9-4-5-9)19(3)12-7-10(13(14,15)16)6-11(17-2)18-12/h6-9H,4-5H2,1-3H3,(H,17,18)
InChIKeyLNMUEHXLHSOJBW-UHFFFAOYSA-N
MW273.30 g/mol
LogP3.38
Rot. Bonds4

About 6-N-(1-cyclopropylethyl)-2-N,6-N-dimethyl-4-(trifluoromethyl)pyridine-2,6-diamine

6-N-(1-cyclopropylethyl)-2-N,6-N-dimethyl-4-(trifluoromethyl)pyridine-2,6-diamine (PubChem CID 102717599) has the molecular formula C13H18F3N3 and a molecular weight of 273.30 g/mol. Its IUPAC name is 6-N-(1-cyclopropylethyl)-2-N,6-N-dimethyl-4-(trifluoromethyl)pyridine-2,6-diamine.

Molecular Properties

Compound Name6-N-(1-cyclopropylethyl)-2-N,6-N-dimethyl-4-(trifluoromethyl)pyridine-2,6-diamine
PubChem CID102717599
Molecular FormulaC13H18F3N3
Molecular Weight273.30 g/mol
Exact Mass273.15
IUPAC Name6-N-(1-cyclopropylethyl)-2-N,6-N-dimethyl-4-(trifluoromethyl)pyridine-2,6-diamine
SMILESCNc1cc(C(F)(F)F)cc(N(C)C(C)C2CC2)n1
InChIInChI=1S/C13H18F3N3/c1-8(9-4-5-9)19(3)12-7-10(13(14,15)16)6-11(17-2)18-12/h6-9H,4-5H2,1-3H3,(H,17,18)
InChIKeyLNMUEHXLHSOJBW-UHFFFAOYSA-N
XLogP3.38
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-N-(1-cyclopropylethyl)-2-N,6-N-dimethyl-4-(trifluoromethyl)pyridine-2,6-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-N-(1-cyclopropylethyl)-2-N,6-N-dimethyl-4-(trifluoromethyl)pyridine-2,6-diamine?
The IUPAC name of 6-N-(1-cyclopropylethyl)-2-N,6-N-dimethyl-4-(trifluoromethyl)pyridine-2,6-diamine (CID 102717599) is 6-N-(1-cyclopropylethyl)-2-N,6-N-dimethyl-4-(trifluoromethyl)pyridine-2,6-diamine.
What is the SMILES notation for 6-N-(1-cyclopropylethyl)-2-N,6-N-dimethyl-4-(trifluoromethyl)pyridine-2,6-diamine?
The canonical SMILES for 6-N-(1-cyclopropylethyl)-2-N,6-N-dimethyl-4-(trifluoromethyl)pyridine-2,6-diamine is CNc1cc(C(F)(F)F)cc(N(C)C(C)C2CC2)n1.
What is the InChIKey of 6-N-(1-cyclopropylethyl)-2-N,6-N-dimethyl-4-(trifluoromethyl)pyridine-2,6-diamine?
The InChIKey is LNMUEHXLHSOJBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N3/c1-8(9-4-5-9)19(3)12-7-10(13(14,15)16)6-11(17-2)18-12/h6-9H,4-5H2,1-3H3,(H,17,18).
What are the key properties of 6-N-(1-cyclopropylethyl)-2-N,6-N-dimethyl-4-(trifluoromethyl)pyridine-2,6-diamine?
6-N-(1-cyclopropylethyl)-2-N,6-N-dimethyl-4-(trifluoromethyl)pyridine-2,6-diamine has a molecular weight of 273.30 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(1-cyclopropylethyl)-2-N,6-N-dimethyl-4-(trifluoromethyl)pyridine-2,6-diamine is sourced from PubChem (CID 102717599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).