2-N-tert-butyl-6-N-(4-ethylphenyl)-6-N-methylpyridine-2,6-diamine

C18H25N3 — CID 115498333

IUPAC2-N-tert-butyl-6-N-(4-ethylphenyl)-6-N-methylpyridine-2,6-diamine
SMILESCCc1ccc(N(C)c2cccc(NC(C)(C)C)n2)cc1
InChIInChI=1S/C18H25N3/c1-6-14-10-12-15(13-11-14)21(5)17-9-7-8-16(19-17)20-18(2,3)4/h7-13H,6H2,1-5H3,(H,19,20)
InChIKeyNMBSAAQUQCGMBJ-UHFFFAOYSA-N
MW283.42 g/mol
LogP4.62
Rot. Bonds4

About 2-N-tert-butyl-6-N-(4-ethylphenyl)-6-N-methylpyridine-2,6-diamine

2-N-tert-butyl-6-N-(4-ethylphenyl)-6-N-methylpyridine-2,6-diamine (PubChem CID 115498333) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is 2-N-tert-butyl-6-N-(4-ethylphenyl)-6-N-methylpyridine-2,6-diamine.

Molecular Properties

Compound Name2-N-tert-butyl-6-N-(4-ethylphenyl)-6-N-methylpyridine-2,6-diamine
PubChem CID115498333
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC Name2-N-tert-butyl-6-N-(4-ethylphenyl)-6-N-methylpyridine-2,6-diamine
SMILESCCc1ccc(N(C)c2cccc(NC(C)(C)C)n2)cc1
InChIInChI=1S/C18H25N3/c1-6-14-10-12-15(13-11-14)21(5)17-9-7-8-16(19-17)20-18(2,3)4/h7-13H,6H2,1-5H3,(H,19,20)
InChIKeyNMBSAAQUQCGMBJ-UHFFFAOYSA-N
XLogP4.62
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 54.62
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-(4-ethylphenyl)-6-N-methylpyridine-2,6-diamine?
The IUPAC name of 2-N-tert-butyl-6-N-(4-ethylphenyl)-6-N-methylpyridine-2,6-diamine (CID 115498333) is 2-N-tert-butyl-6-N-(4-ethylphenyl)-6-N-methylpyridine-2,6-diamine.
What is the SMILES notation for 2-N-tert-butyl-6-N-(4-ethylphenyl)-6-N-methylpyridine-2,6-diamine?
The canonical SMILES for 2-N-tert-butyl-6-N-(4-ethylphenyl)-6-N-methylpyridine-2,6-diamine is CCc1ccc(N(C)c2cccc(NC(C)(C)C)n2)cc1.
What is the InChIKey of 2-N-tert-butyl-6-N-(4-ethylphenyl)-6-N-methylpyridine-2,6-diamine?
The InChIKey is NMBSAAQUQCGMBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3/c1-6-14-10-12-15(13-11-14)21(5)17-9-7-8-16(19-17)20-18(2,3)4/h7-13H,6H2,1-5H3,(H,19,20).
What are the key properties of 2-N-tert-butyl-6-N-(4-ethylphenyl)-6-N-methylpyridine-2,6-diamine?
2-N-tert-butyl-6-N-(4-ethylphenyl)-6-N-methylpyridine-2,6-diamine has a molecular weight of 283.42 g/mol, XLogP of 4.62, 4 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-(4-ethylphenyl)-6-N-methylpyridine-2,6-diamine is sourced from PubChem (CID 115498333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).