4-N-methyl-4-N-(4-methylpentan-2-yl)-6-(trifluoromethyl)pyridine-3,4-diamine

C13H20F3N3 — CID 106747535

IUPAC4-N-methyl-4-N-(4-methylpentan-2-yl)-6-(trifluoromethyl)pyridine-3,4-diamine
SMILESCC(C)CC(C)N(C)c1cc(C(F)(F)F)ncc1N
InChIInChI=1S/C13H20F3N3/c1-8(2)5-9(3)19(4)11-6-12(13(14,15)16)18-7-10(11)17/h6-9H,5,17H2,1-4H3
InChIKeyNJPAPGSLOJLAMJ-UHFFFAOYSA-N
MW275.32 g/mol
LogP3.55
Rot. Bonds4

About 4-N-methyl-4-N-(4-methylpentan-2-yl)-6-(trifluoromethyl)pyridine-3,4-diamine

4-N-methyl-4-N-(4-methylpentan-2-yl)-6-(trifluoromethyl)pyridine-3,4-diamine (PubChem CID 106747535) has the molecular formula C13H20F3N3 and a molecular weight of 275.32 g/mol. Its IUPAC name is 4-N-methyl-4-N-(4-methylpentan-2-yl)-6-(trifluoromethyl)pyridine-3,4-diamine.

Molecular Properties

Compound Name4-N-methyl-4-N-(4-methylpentan-2-yl)-6-(trifluoromethyl)pyridine-3,4-diamine
PubChem CID106747535
Molecular FormulaC13H20F3N3
Molecular Weight275.32 g/mol
Exact Mass275.16
IUPAC Name4-N-methyl-4-N-(4-methylpentan-2-yl)-6-(trifluoromethyl)pyridine-3,4-diamine
SMILESCC(C)CC(C)N(C)c1cc(C(F)(F)F)ncc1N
InChIInChI=1S/C13H20F3N3/c1-8(2)5-9(3)19(4)11-6-12(13(14,15)16)18-7-10(11)17/h6-9H,5,17H2,1-4H3
InChIKeyNJPAPGSLOJLAMJ-UHFFFAOYSA-N
XLogP3.55
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.32
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-4-N-(4-methylpentan-2-yl)-6-(trifluoromethyl)pyridine-3,4-diamine?
The IUPAC name of 4-N-methyl-4-N-(4-methylpentan-2-yl)-6-(trifluoromethyl)pyridine-3,4-diamine (CID 106747535) is 4-N-methyl-4-N-(4-methylpentan-2-yl)-6-(trifluoromethyl)pyridine-3,4-diamine.
What is the SMILES notation for 4-N-methyl-4-N-(4-methylpentan-2-yl)-6-(trifluoromethyl)pyridine-3,4-diamine?
The canonical SMILES for 4-N-methyl-4-N-(4-methylpentan-2-yl)-6-(trifluoromethyl)pyridine-3,4-diamine is CC(C)CC(C)N(C)c1cc(C(F)(F)F)ncc1N.
What is the InChIKey of 4-N-methyl-4-N-(4-methylpentan-2-yl)-6-(trifluoromethyl)pyridine-3,4-diamine?
The InChIKey is NJPAPGSLOJLAMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3N3/c1-8(2)5-9(3)19(4)11-6-12(13(14,15)16)18-7-10(11)17/h6-9H,5,17H2,1-4H3.
What are the key properties of 4-N-methyl-4-N-(4-methylpentan-2-yl)-6-(trifluoromethyl)pyridine-3,4-diamine?
4-N-methyl-4-N-(4-methylpentan-2-yl)-6-(trifluoromethyl)pyridine-3,4-diamine has a molecular weight of 275.32 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-4-N-(4-methylpentan-2-yl)-6-(trifluoromethyl)pyridine-3,4-diamine is sourced from PubChem (CID 106747535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).