2-N-ethyl-6-N-methyl-6-N-(3,3,3-trifluoropropyl)pyridine-2,6-diamine

C11H16F3N3 — CID 80846784

IUPAC2-N-ethyl-6-N-methyl-6-N-(3,3,3-trifluoropropyl)pyridine-2,6-diamine
SMILESCCNc1cccc(N(C)CCC(F)(F)F)n1
InChIInChI=1S/C11H16F3N3/c1-3-15-9-5-4-6-10(16-9)17(2)8-7-11(12,13)14/h4-6H,3,7-8H2,1-2H3,(H,15,16)
InChIKeyPAVSIEQHKWYKGH-UHFFFAOYSA-N
MW247.26 g/mol
LogP2.90
Rot. Bonds5

About 2-N-ethyl-6-N-methyl-6-N-(3,3,3-trifluoropropyl)pyridine-2,6-diamine

2-N-ethyl-6-N-methyl-6-N-(3,3,3-trifluoropropyl)pyridine-2,6-diamine (PubChem CID 80846784) has the molecular formula C11H16F3N3 and a molecular weight of 247.26 g/mol. Its IUPAC name is 2-N-ethyl-6-N-methyl-6-N-(3,3,3-trifluoropropyl)pyridine-2,6-diamine.

Molecular Properties

Compound Name2-N-ethyl-6-N-methyl-6-N-(3,3,3-trifluoropropyl)pyridine-2,6-diamine
PubChem CID80846784
Molecular FormulaC11H16F3N3
Molecular Weight247.26 g/mol
Exact Mass247.13
IUPAC Name2-N-ethyl-6-N-methyl-6-N-(3,3,3-trifluoropropyl)pyridine-2,6-diamine
SMILESCCNc1cccc(N(C)CCC(F)(F)F)n1
InChIInChI=1S/C11H16F3N3/c1-3-15-9-5-4-6-10(16-9)17(2)8-7-11(12,13)14/h4-6H,3,7-8H2,1-2H3,(H,15,16)
InChIKeyPAVSIEQHKWYKGH-UHFFFAOYSA-N
XLogP2.90
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-ethyl-6-N-(3-methoxypropyl)-6-N-methylpyridine-2,6-diamine
CID 80823032
6-N-ethyl-4-N-methyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-2,4,6-triamine
CID 80847003
6-N,2-diethyl-4-N-methyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-4,6-diamine
CID 80942506
6-N-ethyl-4-N-methyl-2-propan-2-yl-4-N-(3,3,3-trifluoropropyl)pyrimidine-4,6-diamine
CID 80959784
1-[[6-(ethylamino)-2-pyridinyl]-methylamino]propan-2-ol
CID 80827221
6-N-(3,3-dimethylbutan-2-yl)-2-N-ethyl-6-N-methylpyridine-2,6-diamine
CID 80814827
2-N-ethyl-6-N-methyl-6-N-phenylpyridine-2,6-diamine
CID 80767103
6-N-[3-(dimethylamino)propyl]-2-N,6-N-diethylpyridine-2,6-diamine
CID 102998802
2-N-ethyl-6-N,6-N-bis(2-methoxyethyl)pyridine-2,6-diamine
CID 80796516
3-[ethyl-[6-(ethylamino)-2-pyridinyl]amino]propanenitrile
CID 80806487
N-ethyl-6-[[methyl(propyl)amino]methyl]pyridin-2-amine
CID 79243084
2-tert-butyl-6-hydrazinyl-N-methyl-N-(3,3,3-trifluoropropyl)pyrimidin-4-amine
CID 80968252

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-6-N-methyl-6-N-(3,3,3-trifluoropropyl)pyridine-2,6-diamine?
The IUPAC name of 2-N-ethyl-6-N-methyl-6-N-(3,3,3-trifluoropropyl)pyridine-2,6-diamine (CID 80846784) is 2-N-ethyl-6-N-methyl-6-N-(3,3,3-trifluoropropyl)pyridine-2,6-diamine.
What is the SMILES notation for 2-N-ethyl-6-N-methyl-6-N-(3,3,3-trifluoropropyl)pyridine-2,6-diamine?
The canonical SMILES for 2-N-ethyl-6-N-methyl-6-N-(3,3,3-trifluoropropyl)pyridine-2,6-diamine is CCNc1cccc(N(C)CCC(F)(F)F)n1.
What is the InChIKey of 2-N-ethyl-6-N-methyl-6-N-(3,3,3-trifluoropropyl)pyridine-2,6-diamine?
The InChIKey is PAVSIEQHKWYKGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3/c1-3-15-9-5-4-6-10(16-9)17(2)8-7-11(12,13)14/h4-6H,3,7-8H2,1-2H3,(H,15,16).
What are the key properties of 2-N-ethyl-6-N-methyl-6-N-(3,3,3-trifluoropropyl)pyridine-2,6-diamine?
2-N-ethyl-6-N-methyl-6-N-(3,3,3-trifluoropropyl)pyridine-2,6-diamine has a molecular weight of 247.26 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-6-N-methyl-6-N-(3,3,3-trifluoropropyl)pyridine-2,6-diamine is sourced from PubChem (CID 80846784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).