4-N-[2-(dimethylamino)ethyl]-4-N-(2-methylpropyl)-6-(trifluoromethyl)pyridine-3,4-diamine

C14H23F3N4 — CID 106747555

IUPAC4-N-[2-(dimethylamino)ethyl]-4-N-(2-methylpropyl)-6-(trifluoromethyl)pyridine-3,4-diamine
SMILESCC(C)CN(CCN(C)C)c1cc(C(F)(F)F)ncc1N
InChIInChI=1S/C14H23F3N4/c1-10(2)9-21(6-5-20(3)4)12-7-13(14(15,16)17)19-8-11(12)18/h7-8,10H,5-6,9,18H2,1-4H3
InChIKeyBTZRWEDEZLWXPR-UHFFFAOYSA-N
MW304.36 g/mol
LogP2.71
Rot. Bonds6

About 4-N-[2-(dimethylamino)ethyl]-4-N-(2-methylpropyl)-6-(trifluoromethyl)pyridine-3,4-diamine

4-N-[2-(dimethylamino)ethyl]-4-N-(2-methylpropyl)-6-(trifluoromethyl)pyridine-3,4-diamine (PubChem CID 106747555) has the molecular formula C14H23F3N4 and a molecular weight of 304.36 g/mol. Its IUPAC name is 4-N-[2-(dimethylamino)ethyl]-4-N-(2-methylpropyl)-6-(trifluoromethyl)pyridine-3,4-diamine.

Molecular Properties

Compound Name4-N-[2-(dimethylamino)ethyl]-4-N-(2-methylpropyl)-6-(trifluoromethyl)pyridine-3,4-diamine
PubChem CID106747555
Molecular FormulaC14H23F3N4
Molecular Weight304.36 g/mol
Exact Mass304.19
IUPAC Name4-N-[2-(dimethylamino)ethyl]-4-N-(2-methylpropyl)-6-(trifluoromethyl)pyridine-3,4-diamine
SMILESCC(C)CN(CCN(C)C)c1cc(C(F)(F)F)ncc1N
InChIInChI=1S/C14H23F3N4/c1-10(2)9-21(6-5-20(3)4)12-7-13(14(15,16)17)19-8-11(12)18/h7-8,10H,5-6,9,18H2,1-4H3
InChIKeyBTZRWEDEZLWXPR-UHFFFAOYSA-N
XLogP2.71
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.36
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(dimethylamino)ethyl]-4-N-(2-methylpropyl)-6-(trifluoromethyl)pyridine-3,4-diamine?
The IUPAC name of 4-N-[2-(dimethylamino)ethyl]-4-N-(2-methylpropyl)-6-(trifluoromethyl)pyridine-3,4-diamine (CID 106747555) is 4-N-[2-(dimethylamino)ethyl]-4-N-(2-methylpropyl)-6-(trifluoromethyl)pyridine-3,4-diamine.
What is the SMILES notation for 4-N-[2-(dimethylamino)ethyl]-4-N-(2-methylpropyl)-6-(trifluoromethyl)pyridine-3,4-diamine?
The canonical SMILES for 4-N-[2-(dimethylamino)ethyl]-4-N-(2-methylpropyl)-6-(trifluoromethyl)pyridine-3,4-diamine is CC(C)CN(CCN(C)C)c1cc(C(F)(F)F)ncc1N.
What is the InChIKey of 4-N-[2-(dimethylamino)ethyl]-4-N-(2-methylpropyl)-6-(trifluoromethyl)pyridine-3,4-diamine?
The InChIKey is BTZRWEDEZLWXPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F3N4/c1-10(2)9-21(6-5-20(3)4)12-7-13(14(15,16)17)19-8-11(12)18/h7-8,10H,5-6,9,18H2,1-4H3.
What are the key properties of 4-N-[2-(dimethylamino)ethyl]-4-N-(2-methylpropyl)-6-(trifluoromethyl)pyridine-3,4-diamine?
4-N-[2-(dimethylamino)ethyl]-4-N-(2-methylpropyl)-6-(trifluoromethyl)pyridine-3,4-diamine has a molecular weight of 304.36 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(dimethylamino)ethyl]-4-N-(2-methylpropyl)-6-(trifluoromethyl)pyridine-3,4-diamine is sourced from PubChem (CID 106747555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).