6-N-(2-methylbutyl)-2-N-propyl-4-(trifluoromethyl)pyridine-2,6-diamine

C14H22F3N3 — CID 102718352

IUPAC6-N-(2-methylbutyl)-2-N-propyl-4-(trifluoromethyl)pyridine-2,6-diamine
SMILESCCCNc1cc(C(F)(F)F)cc(NCC(C)CC)n1
InChIInChI=1S/C14H22F3N3/c1-4-6-18-12-7-11(14(15,16)17)8-13(20-12)19-9-10(3)5-2/h7-8,10H,4-6,9H2,1-3H3,(H2,18,19,20)
InChIKeyRKZLLWOHRZLDNE-UHFFFAOYSA-N
MW289.35 g/mol
LogP4.38
Rot. Bonds7

About 6-N-(2-methylbutyl)-2-N-propyl-4-(trifluoromethyl)pyridine-2,6-diamine

6-N-(2-methylbutyl)-2-N-propyl-4-(trifluoromethyl)pyridine-2,6-diamine (PubChem CID 102718352) has the molecular formula C14H22F3N3 and a molecular weight of 289.35 g/mol. Its IUPAC name is 6-N-(2-methylbutyl)-2-N-propyl-4-(trifluoromethyl)pyridine-2,6-diamine.

Molecular Properties

Compound Name6-N-(2-methylbutyl)-2-N-propyl-4-(trifluoromethyl)pyridine-2,6-diamine
PubChem CID102718352
Molecular FormulaC14H22F3N3
Molecular Weight289.35 g/mol
Exact Mass289.18
IUPAC Name6-N-(2-methylbutyl)-2-N-propyl-4-(trifluoromethyl)pyridine-2,6-diamine
SMILESCCCNc1cc(C(F)(F)F)cc(NCC(C)CC)n1
InChIInChI=1S/C14H22F3N3/c1-4-6-18-12-7-11(14(15,16)17)8-13(20-12)19-9-10(3)5-2/h7-8,10H,4-6,9H2,1-3H3,(H2,18,19,20)
InChIKeyRKZLLWOHRZLDNE-UHFFFAOYSA-N
XLogP4.38
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[6-(propylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]pentan-2-ol
CID 102719358
6-N-(3-methylpentan-2-yl)-2-N-propyl-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717856
6-N-methyl-6-N-(2-methylbutyl)-2-N-propyl-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717450
2-N-propyl-6-N-(2,2,2-trifluoroethyl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717325
4-N-(2-methylbutyl)-6-N-propylpyrimidine-2,4,6-triamine
CID 80832143
6-(3-methylbutan-2-yloxy)-N-propyl-4-(trifluoromethyl)pyridin-2-amine
CID 102720055
5-[[6-(propylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]pentan-1-ol
CID 107324249
2-methyl-3-[[6-(propylamino)-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]propan-1-ol
CID 102720380
6-pentan-2-yloxy-N-propyl-4-(trifluoromethyl)pyridin-2-amine
CID 102989406
6-N-butyl-2-N-ethyl-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717307
2-[[6-(propylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]ethylurea
CID 102719108
N-propyl-6-(2,2,2-trifluoroethoxy)-4-(trifluoromethyl)pyridin-2-amine
CID 102719676

Frequently Asked Questions

What is the IUPAC name of 6-N-(2-methylbutyl)-2-N-propyl-4-(trifluoromethyl)pyridine-2,6-diamine?
The IUPAC name of 6-N-(2-methylbutyl)-2-N-propyl-4-(trifluoromethyl)pyridine-2,6-diamine (CID 102718352) is 6-N-(2-methylbutyl)-2-N-propyl-4-(trifluoromethyl)pyridine-2,6-diamine.
What is the SMILES notation for 6-N-(2-methylbutyl)-2-N-propyl-4-(trifluoromethyl)pyridine-2,6-diamine?
The canonical SMILES for 6-N-(2-methylbutyl)-2-N-propyl-4-(trifluoromethyl)pyridine-2,6-diamine is CCCNc1cc(C(F)(F)F)cc(NCC(C)CC)n1.
What is the InChIKey of 6-N-(2-methylbutyl)-2-N-propyl-4-(trifluoromethyl)pyridine-2,6-diamine?
The InChIKey is RKZLLWOHRZLDNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F3N3/c1-4-6-18-12-7-11(14(15,16)17)8-13(20-12)19-9-10(3)5-2/h7-8,10H,4-6,9H2,1-3H3,(H2,18,19,20).
What are the key properties of 6-N-(2-methylbutyl)-2-N-propyl-4-(trifluoromethyl)pyridine-2,6-diamine?
6-N-(2-methylbutyl)-2-N-propyl-4-(trifluoromethyl)pyridine-2,6-diamine has a molecular weight of 289.35 g/mol, XLogP of 4.38, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(2-methylbutyl)-2-N-propyl-4-(trifluoromethyl)pyridine-2,6-diamine is sourced from PubChem (CID 102718352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).