4-N,4-N-dimethyl-3-N-(6,6,6-trifluorohexan-2-yl)pyridine-3,4-diamine

C13H20F3N3 — CID 116534255

IUPAC4-N,4-N-dimethyl-3-N-(6,6,6-trifluorohexan-2-yl)pyridine-3,4-diamine
SMILESCC(CCCC(F)(F)F)Nc1cnccc1N(C)C
InChIInChI=1S/C13H20F3N3/c1-10(5-4-7-13(14,15)16)18-11-9-17-8-6-12(11)19(2)3/h6,8-10,18H,4-5,7H2,1-3H3
InChIKeyURTWZLGREVTMCU-UHFFFAOYSA-N
MW275.32 g/mol
LogP3.68
Rot. Bonds6

About 4-N,4-N-dimethyl-3-N-(6,6,6-trifluorohexan-2-yl)pyridine-3,4-diamine

4-N,4-N-dimethyl-3-N-(6,6,6-trifluorohexan-2-yl)pyridine-3,4-diamine (PubChem CID 116534255) has the molecular formula C13H20F3N3 and a molecular weight of 275.32 g/mol. Its IUPAC name is 4-N,4-N-dimethyl-3-N-(6,6,6-trifluorohexan-2-yl)pyridine-3,4-diamine.

Molecular Properties

Compound Name4-N,4-N-dimethyl-3-N-(6,6,6-trifluorohexan-2-yl)pyridine-3,4-diamine
PubChem CID116534255
Molecular FormulaC13H20F3N3
Molecular Weight275.32 g/mol
Exact Mass275.16
IUPAC Name4-N,4-N-dimethyl-3-N-(6,6,6-trifluorohexan-2-yl)pyridine-3,4-diamine
SMILESCC(CCCC(F)(F)F)Nc1cnccc1N(C)C
InChIInChI=1S/C13H20F3N3/c1-10(5-4-7-13(14,15)16)18-11-9-17-8-6-12(11)19(2)3/h6,8-10,18H,4-5,7H2,1-3H3
InChIKeyURTWZLGREVTMCU-UHFFFAOYSA-N
XLogP3.68
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.32
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-dimethyl-3-N-(6,6,6-trifluorohexan-2-yl)pyridine-3,4-diamine?
The IUPAC name of 4-N,4-N-dimethyl-3-N-(6,6,6-trifluorohexan-2-yl)pyridine-3,4-diamine (CID 116534255) is 4-N,4-N-dimethyl-3-N-(6,6,6-trifluorohexan-2-yl)pyridine-3,4-diamine.
What is the SMILES notation for 4-N,4-N-dimethyl-3-N-(6,6,6-trifluorohexan-2-yl)pyridine-3,4-diamine?
The canonical SMILES for 4-N,4-N-dimethyl-3-N-(6,6,6-trifluorohexan-2-yl)pyridine-3,4-diamine is CC(CCCC(F)(F)F)Nc1cnccc1N(C)C.
What is the InChIKey of 4-N,4-N-dimethyl-3-N-(6,6,6-trifluorohexan-2-yl)pyridine-3,4-diamine?
The InChIKey is URTWZLGREVTMCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3N3/c1-10(5-4-7-13(14,15)16)18-11-9-17-8-6-12(11)19(2)3/h6,8-10,18H,4-5,7H2,1-3H3.
What are the key properties of 4-N,4-N-dimethyl-3-N-(6,6,6-trifluorohexan-2-yl)pyridine-3,4-diamine?
4-N,4-N-dimethyl-3-N-(6,6,6-trifluorohexan-2-yl)pyridine-3,4-diamine has a molecular weight of 275.32 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-dimethyl-3-N-(6,6,6-trifluorohexan-2-yl)pyridine-3,4-diamine is sourced from PubChem (CID 116534255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).