2-N-methyl-6-N-(2-methylpropyl)-6-N-propan-2-yl-4-(trifluoromethyl)pyridine-2,6-diamine

C14H22F3N3 — CID 102718063

IUPAC2-N-methyl-6-N-(2-methylpropyl)-6-N-propan-2-yl-4-(trifluoromethyl)pyridine-2,6-diamine
SMILESCNc1cc(C(F)(F)F)cc(N(CC(C)C)C(C)C)n1
InChIInChI=1S/C14H22F3N3/c1-9(2)8-20(10(3)4)13-7-11(14(15,16)17)6-12(18-5)19-13/h6-7,9-10H,8H2,1-5H3,(H,18,19)
InChIKeyXEANQBOCWSFHGU-UHFFFAOYSA-N
MW289.35 g/mol
LogP4.01
Rot. Bonds5

About 2-N-methyl-6-N-(2-methylpropyl)-6-N-propan-2-yl-4-(trifluoromethyl)pyridine-2,6-diamine

2-N-methyl-6-N-(2-methylpropyl)-6-N-propan-2-yl-4-(trifluoromethyl)pyridine-2,6-diamine (PubChem CID 102718063) has the molecular formula C14H22F3N3 and a molecular weight of 289.35 g/mol. Its IUPAC name is 2-N-methyl-6-N-(2-methylpropyl)-6-N-propan-2-yl-4-(trifluoromethyl)pyridine-2,6-diamine.

Molecular Properties

Compound Name2-N-methyl-6-N-(2-methylpropyl)-6-N-propan-2-yl-4-(trifluoromethyl)pyridine-2,6-diamine
PubChem CID102718063
Molecular FormulaC14H22F3N3
Molecular Weight289.35 g/mol
Exact Mass289.18
IUPAC Name2-N-methyl-6-N-(2-methylpropyl)-6-N-propan-2-yl-4-(trifluoromethyl)pyridine-2,6-diamine
SMILESCNc1cc(C(F)(F)F)cc(N(CC(C)C)C(C)C)n1
InChIInChI=1S/C14H22F3N3/c1-9(2)8-20(10(3)4)13-7-11(14(15,16)17)6-12(18-5)19-13/h6-7,9-10H,8H2,1-5H3,(H,18,19)
InChIKeyXEANQBOCWSFHGU-UHFFFAOYSA-N
XLogP4.01
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-ethyl-6-N-(2-methylpropyl)-6-N-propan-2-yl-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102718062
6-hydrazinyl-N-methyl-N-(2-methylpropyl)-4-(trifluoromethyl)pyridin-2-amine
CID 102720431
2-methyl-2-[methyl-[6-(methylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]propan-1-ol
CID 102719263
4-[methyl-[6-(methylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]butan-2-ol
CID 102719371
N,2-dimethyl-3-[methyl-[6-(methylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]propanamide
CID 106918708
6-N-[1-(dimethylamino)propan-2-yl]-2-N-methyl-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102719072
6-N-cyclopentyl-2-N,6-N-dimethyl-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717416
6-N-(1-cyclopropylethyl)-2-N,6-N-dimethyl-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717599
6-N-cyclopropyl-2-N-methyl-6-N-(2,2,2-trifluoroethyl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102718099
2-N,6-N-dimethyl-6-N-(oxan-4-yl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717637
6-N-(2-fluorophenyl)-2-N,6-N-dimethyl-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102718253
2-[[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]-(2-methylpropyl)amino]acetamide
CID 102720618

Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-6-N-(2-methylpropyl)-6-N-propan-2-yl-4-(trifluoromethyl)pyridine-2,6-diamine?
The IUPAC name of 2-N-methyl-6-N-(2-methylpropyl)-6-N-propan-2-yl-4-(trifluoromethyl)pyridine-2,6-diamine (CID 102718063) is 2-N-methyl-6-N-(2-methylpropyl)-6-N-propan-2-yl-4-(trifluoromethyl)pyridine-2,6-diamine.
What is the SMILES notation for 2-N-methyl-6-N-(2-methylpropyl)-6-N-propan-2-yl-4-(trifluoromethyl)pyridine-2,6-diamine?
The canonical SMILES for 2-N-methyl-6-N-(2-methylpropyl)-6-N-propan-2-yl-4-(trifluoromethyl)pyridine-2,6-diamine is CNc1cc(C(F)(F)F)cc(N(CC(C)C)C(C)C)n1.
What is the InChIKey of 2-N-methyl-6-N-(2-methylpropyl)-6-N-propan-2-yl-4-(trifluoromethyl)pyridine-2,6-diamine?
The InChIKey is XEANQBOCWSFHGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F3N3/c1-9(2)8-20(10(3)4)13-7-11(14(15,16)17)6-12(18-5)19-13/h6-7,9-10H,8H2,1-5H3,(H,18,19).
What are the key properties of 2-N-methyl-6-N-(2-methylpropyl)-6-N-propan-2-yl-4-(trifluoromethyl)pyridine-2,6-diamine?
2-N-methyl-6-N-(2-methylpropyl)-6-N-propan-2-yl-4-(trifluoromethyl)pyridine-2,6-diamine has a molecular weight of 289.35 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-6-N-(2-methylpropyl)-6-N-propan-2-yl-4-(trifluoromethyl)pyridine-2,6-diamine is sourced from PubChem (CID 102718063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).