5-(2,6-dimethylheptan-4-ylamino)-1-ethylpyridin-2-one

C16H28N2O — CID 54863810

IUPAC5-(2,6-dimethylheptan-4-ylamino)-1-ethylpyridin-2-one
SMILESCCn1cc(NC(CC(C)C)CC(C)C)ccc1=O
InChIInChI=1S/C16H28N2O/c1-6-18-11-14(7-8-16(18)19)17-15(9-12(2)3)10-13(4)5/h7-8,11-13,15,17H,6,9-10H2,1-5H3
InChIKeyOYEOFSIZKOYXIM-UHFFFAOYSA-N
MW264.41 g/mol
LogP3.74
Rot. Bonds7

About 5-(2,6-dimethylheptan-4-ylamino)-1-ethylpyridin-2-one

5-(2,6-dimethylheptan-4-ylamino)-1-ethylpyridin-2-one (PubChem CID 54863810) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 5-(2,6-dimethylheptan-4-ylamino)-1-ethylpyridin-2-one.

Molecular Properties

Compound Name5-(2,6-dimethylheptan-4-ylamino)-1-ethylpyridin-2-one
PubChem CID54863810
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name5-(2,6-dimethylheptan-4-ylamino)-1-ethylpyridin-2-one
SMILESCCn1cc(NC(CC(C)C)CC(C)C)ccc1=O
InChIInChI=1S/C16H28N2O/c1-6-18-11-14(7-8-16(18)19)17-15(9-12(2)3)10-13(4)5/h7-8,11-13,15,17H,6,9-10H2,1-5H3
InChIKeyOYEOFSIZKOYXIM-UHFFFAOYSA-N
XLogP3.74
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2,6-dimethylheptan-4-ylamino)-1-ethylpyridin-2-one?
The IUPAC name of 5-(2,6-dimethylheptan-4-ylamino)-1-ethylpyridin-2-one (CID 54863810) is 5-(2,6-dimethylheptan-4-ylamino)-1-ethylpyridin-2-one.
What is the SMILES notation for 5-(2,6-dimethylheptan-4-ylamino)-1-ethylpyridin-2-one?
The canonical SMILES for 5-(2,6-dimethylheptan-4-ylamino)-1-ethylpyridin-2-one is CCn1cc(NC(CC(C)C)CC(C)C)ccc1=O.
What is the InChIKey of 5-(2,6-dimethylheptan-4-ylamino)-1-ethylpyridin-2-one?
The InChIKey is OYEOFSIZKOYXIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-6-18-11-14(7-8-16(18)19)17-15(9-12(2)3)10-13(4)5/h7-8,11-13,15,17H,6,9-10H2,1-5H3.
What are the key properties of 5-(2,6-dimethylheptan-4-ylamino)-1-ethylpyridin-2-one?
5-(2,6-dimethylheptan-4-ylamino)-1-ethylpyridin-2-one has a molecular weight of 264.41 g/mol, XLogP of 3.74, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-dimethylheptan-4-ylamino)-1-ethylpyridin-2-one is sourced from PubChem (CID 54863810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).