6-N-cyclopropyl-2-N,6-N-diethyl-4-(trifluoromethyl)pyridine-2,6-diamine

C13H18F3N3 — CID 102717403

IUPAC6-N-cyclopropyl-2-N,6-N-diethyl-4-(trifluoromethyl)pyridine-2,6-diamine
SMILESCCNc1cc(C(F)(F)F)cc(N(CC)C2CC2)n1
InChIInChI=1S/C13H18F3N3/c1-3-17-11-7-9(13(14,15)16)8-12(18-11)19(4-2)10-5-6-10/h7-8,10H,3-6H2,1-2H3,(H,17,18)
InChIKeyZQQDSWFUAGJCME-UHFFFAOYSA-N
MW273.30 g/mol
LogP3.52
Rot. Bonds5

About 6-N-cyclopropyl-2-N,6-N-diethyl-4-(trifluoromethyl)pyridine-2,6-diamine

6-N-cyclopropyl-2-N,6-N-diethyl-4-(trifluoromethyl)pyridine-2,6-diamine (PubChem CID 102717403) has the molecular formula C13H18F3N3 and a molecular weight of 273.30 g/mol. Its IUPAC name is 6-N-cyclopropyl-2-N,6-N-diethyl-4-(trifluoromethyl)pyridine-2,6-diamine.

Molecular Properties

Compound Name6-N-cyclopropyl-2-N,6-N-diethyl-4-(trifluoromethyl)pyridine-2,6-diamine
PubChem CID102717403
Molecular FormulaC13H18F3N3
Molecular Weight273.30 g/mol
Exact Mass273.15
IUPAC Name6-N-cyclopropyl-2-N,6-N-diethyl-4-(trifluoromethyl)pyridine-2,6-diamine
SMILESCCNc1cc(C(F)(F)F)cc(N(CC)C2CC2)n1
InChIInChI=1S/C13H18F3N3/c1-3-17-11-7-9(13(14,15)16)8-12(18-11)19(4-2)10-5-6-10/h7-8,10H,3-6H2,1-2H3,(H,17,18)
InChIKeyZQQDSWFUAGJCME-UHFFFAOYSA-N
XLogP3.52
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 ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-N-cyclopropyl-2-N,6-N-diethyl-4-(trifluoromethyl)pyridine-2,6-diamine?
The IUPAC name of 6-N-cyclopropyl-2-N,6-N-diethyl-4-(trifluoromethyl)pyridine-2,6-diamine (CID 102717403) is 6-N-cyclopropyl-2-N,6-N-diethyl-4-(trifluoromethyl)pyridine-2,6-diamine.
What is the SMILES notation for 6-N-cyclopropyl-2-N,6-N-diethyl-4-(trifluoromethyl)pyridine-2,6-diamine?
The canonical SMILES for 6-N-cyclopropyl-2-N,6-N-diethyl-4-(trifluoromethyl)pyridine-2,6-diamine is CCNc1cc(C(F)(F)F)cc(N(CC)C2CC2)n1.
What is the InChIKey of 6-N-cyclopropyl-2-N,6-N-diethyl-4-(trifluoromethyl)pyridine-2,6-diamine?
The InChIKey is ZQQDSWFUAGJCME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N3/c1-3-17-11-7-9(13(14,15)16)8-12(18-11)19(4-2)10-5-6-10/h7-8,10H,3-6H2,1-2H3,(H,17,18).
What are the key properties of 6-N-cyclopropyl-2-N,6-N-diethyl-4-(trifluoromethyl)pyridine-2,6-diamine?
6-N-cyclopropyl-2-N,6-N-diethyl-4-(trifluoromethyl)pyridine-2,6-diamine has a molecular weight of 273.30 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-cyclopropyl-2-N,6-N-diethyl-4-(trifluoromethyl)pyridine-2,6-diamine is sourced from PubChem (CID 102717403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).