2-N-tert-butyl-6-N-ethyl-6-N-(2-methylpropyl)pyridine-2,6-diamine

C15H27N3 — CID 113323698

IUPAC2-N-tert-butyl-6-N-ethyl-6-N-(2-methylpropyl)pyridine-2,6-diamine
SMILESCCN(CC(C)C)c1cccc(NC(C)(C)C)n1
InChIInChI=1S/C15H27N3/c1-7-18(11-12(2)3)14-10-8-9-13(16-14)17-15(4,5)6/h8-10,12H,7,11H2,1-6H3,(H,16,17)
InChIKeyNLDXIKUICRHCSJ-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.77
Rot. Bonds5

About 2-N-tert-butyl-6-N-ethyl-6-N-(2-methylpropyl)pyridine-2,6-diamine

2-N-tert-butyl-6-N-ethyl-6-N-(2-methylpropyl)pyridine-2,6-diamine (PubChem CID 113323698) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is 2-N-tert-butyl-6-N-ethyl-6-N-(2-methylpropyl)pyridine-2,6-diamine.

Molecular Properties

Compound Name2-N-tert-butyl-6-N-ethyl-6-N-(2-methylpropyl)pyridine-2,6-diamine
PubChem CID113323698
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC Name2-N-tert-butyl-6-N-ethyl-6-N-(2-methylpropyl)pyridine-2,6-diamine
SMILESCCN(CC(C)C)c1cccc(NC(C)(C)C)n1
InChIInChI=1S/C15H27N3/c1-7-18(11-12(2)3)14-10-8-9-13(16-14)17-15(4,5)6/h8-10,12H,7,11H2,1-6H3,(H,16,17)
InChIKeyNLDXIKUICRHCSJ-UHFFFAOYSA-N
XLogP3.77
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-N-tert-butyl-6-N-ethyl-6-N-(2-methylpropyl)pyridine-2,6-diamine?
The IUPAC name of 2-N-tert-butyl-6-N-ethyl-6-N-(2-methylpropyl)pyridine-2,6-diamine (CID 113323698) is 2-N-tert-butyl-6-N-ethyl-6-N-(2-methylpropyl)pyridine-2,6-diamine.
What is the SMILES notation for 2-N-tert-butyl-6-N-ethyl-6-N-(2-methylpropyl)pyridine-2,6-diamine?
The canonical SMILES for 2-N-tert-butyl-6-N-ethyl-6-N-(2-methylpropyl)pyridine-2,6-diamine is CCN(CC(C)C)c1cccc(NC(C)(C)C)n1.
What is the InChIKey of 2-N-tert-butyl-6-N-ethyl-6-N-(2-methylpropyl)pyridine-2,6-diamine?
The InChIKey is NLDXIKUICRHCSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-7-18(11-12(2)3)14-10-8-9-13(16-14)17-15(4,5)6/h8-10,12H,7,11H2,1-6H3,(H,16,17).
What are the key properties of 2-N-tert-butyl-6-N-ethyl-6-N-(2-methylpropyl)pyridine-2,6-diamine?
2-N-tert-butyl-6-N-ethyl-6-N-(2-methylpropyl)pyridine-2,6-diamine has a molecular weight of 249.40 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-tert-butyl-6-N-ethyl-6-N-(2-methylpropyl)pyridine-2,6-diamine is sourced from PubChem (CID 113323698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).