2-N,2-N-diethyl-5-N-(6,6,6-trifluorohexan-2-yl)pyridine-2,5-diamine

C15H24F3N3 — CID 116534337

IUPAC2-N,2-N-diethyl-5-N-(6,6,6-trifluorohexan-2-yl)pyridine-2,5-diamine
SMILESCCN(CC)c1ccc(NC(C)CCCC(F)(F)F)cn1
InChIInChI=1S/C15H24F3N3/c1-4-21(5-2)14-9-8-13(11-19-14)20-12(3)7-6-10-15(16,17)18/h8-9,11-12,20H,4-7,10H2,1-3H3
InChIKeyKZBCIGDQWPDHRE-UHFFFAOYSA-N
MW303.37 g/mol
LogP4.46
Rot. Bonds8

About 2-N,2-N-diethyl-5-N-(6,6,6-trifluorohexan-2-yl)pyridine-2,5-diamine

2-N,2-N-diethyl-5-N-(6,6,6-trifluorohexan-2-yl)pyridine-2,5-diamine (PubChem CID 116534337) has the molecular formula C15H24F3N3 and a molecular weight of 303.37 g/mol. Its IUPAC name is 2-N,2-N-diethyl-5-N-(6,6,6-trifluorohexan-2-yl)pyridine-2,5-diamine.

Molecular Properties

Compound Name2-N,2-N-diethyl-5-N-(6,6,6-trifluorohexan-2-yl)pyridine-2,5-diamine
PubChem CID116534337
Molecular FormulaC15H24F3N3
Molecular Weight303.37 g/mol
Exact Mass303.19
IUPAC Name2-N,2-N-diethyl-5-N-(6,6,6-trifluorohexan-2-yl)pyridine-2,5-diamine
SMILESCCN(CC)c1ccc(NC(C)CCCC(F)(F)F)cn1
InChIInChI=1S/C15H24F3N3/c1-4-21(5-2)14-9-8-13(11-19-14)20-12(3)7-6-10-15(16,17)18/h8-9,11-12,20H,4-7,10H2,1-3H3
InChIKeyKZBCIGDQWPDHRE-UHFFFAOYSA-N
XLogP4.46
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-N,2-N-diethyl-5-N-(6,6,6-trifluorohexan-2-yl)pyridine-2,5-diamine with MolForge

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Related Compounds

4-propan-2-yl-N-(6,6,6-trifluorohexan-2-yl)aniline
CID 116534013
4-methoxy-N-(6,6,6-trifluorohexan-2-yl)aniline
CID 116534060
4-methylsulfanyl-N-(6,6,6-trifluorohexan-2-yl)aniline
CID 116533990
2-N,2-N-dimethyl-5-N-pentan-2-ylpyridine-2,5-diamine
CID 43690557
2-N,2-N-diethyl-5-N-(2-methylpentyl)pyridine-2,5-diamine
CID 43697114
2,2,2-trifluoroethyl N-[6-(diethylamino)-3-pyridinyl]carbamate
CID 47002275
3-fluoro-4-methyl-N-(6,6,6-trifluorohexan-2-yl)aniline
CID 116534048
4-(1,2,4-triazol-1-yl)-N-(6,6,6-trifluorohexan-2-yl)aniline
CID 116534569
3-ethoxy-4-methoxy-N-(6,6,6-trifluorohexan-2-yl)aniline
CID 116534427
methyl 2-[[6-(diethylamino)-3-pyridinyl]amino]butanoate
CID 115352651
N-(6,6,6-trifluorohexan-2-yl)-2,3-dihydro-1H-inden-5-amine
CID 116534020
2-N,2-N-diethyl-5-N-[1-(2-methylphenyl)ethyl]pyridine-2,5-diamine
CID 43697435

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-diethyl-5-N-(6,6,6-trifluorohexan-2-yl)pyridine-2,5-diamine?
The IUPAC name of 2-N,2-N-diethyl-5-N-(6,6,6-trifluorohexan-2-yl)pyridine-2,5-diamine (CID 116534337) is 2-N,2-N-diethyl-5-N-(6,6,6-trifluorohexan-2-yl)pyridine-2,5-diamine.
What is the SMILES notation for 2-N,2-N-diethyl-5-N-(6,6,6-trifluorohexan-2-yl)pyridine-2,5-diamine?
The canonical SMILES for 2-N,2-N-diethyl-5-N-(6,6,6-trifluorohexan-2-yl)pyridine-2,5-diamine is CCN(CC)c1ccc(NC(C)CCCC(F)(F)F)cn1.
What is the InChIKey of 2-N,2-N-diethyl-5-N-(6,6,6-trifluorohexan-2-yl)pyridine-2,5-diamine?
The InChIKey is KZBCIGDQWPDHRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24F3N3/c1-4-21(5-2)14-9-8-13(11-19-14)20-12(3)7-6-10-15(16,17)18/h8-9,11-12,20H,4-7,10H2,1-3H3.
What are the key properties of 2-N,2-N-diethyl-5-N-(6,6,6-trifluorohexan-2-yl)pyridine-2,5-diamine?
2-N,2-N-diethyl-5-N-(6,6,6-trifluorohexan-2-yl)pyridine-2,5-diamine has a molecular weight of 303.37 g/mol, XLogP of 4.46, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-diethyl-5-N-(6,6,6-trifluorohexan-2-yl)pyridine-2,5-diamine is sourced from PubChem (CID 116534337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).