1-[5-[3,3-dimethylbutan-2-yl(methyl)amino]-2-pyridinyl]ethanone

C14H22N2O — CID 83119666

IUPAC1-[5-[3,3-dimethylbutan-2-yl(methyl)amino]-2-pyridinyl]ethanone
SMILESCC(=O)c1ccc(N(C)C(C)C(C)(C)C)cn1
InChIInChI=1S/C14H22N2O/c1-10(17)13-8-7-12(9-15-13)16(6)11(2)14(3,4)5/h7-9,11H,1-6H3
InChIKeyRQPXENLBBZIJJA-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.15
Rot. Bonds3

About 1-[5-[3,3-dimethylbutan-2-yl(methyl)amino]-2-pyridinyl]ethanone

1-[5-[3,3-dimethylbutan-2-yl(methyl)amino]-2-pyridinyl]ethanone (PubChem CID 83119666) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 1-[5-[3,3-dimethylbutan-2-yl(methyl)amino]-2-pyridinyl]ethanone.

Molecular Properties

Compound Name1-[5-[3,3-dimethylbutan-2-yl(methyl)amino]-2-pyridinyl]ethanone
PubChem CID83119666
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name1-[5-[3,3-dimethylbutan-2-yl(methyl)amino]-2-pyridinyl]ethanone
SMILESCC(=O)c1ccc(N(C)C(C)C(C)(C)C)cn1
InChIInChI=1S/C14H22N2O/c1-10(17)13-8-7-12(9-15-13)16(6)11(2)14(3,4)5/h7-9,11H,1-6H3
InChIKeyRQPXENLBBZIJJA-UHFFFAOYSA-N
XLogP3.15
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[3,3-dimethylbutan-2-yl(methyl)amino]-2-pyridinyl]ethanone?
The IUPAC name of 1-[5-[3,3-dimethylbutan-2-yl(methyl)amino]-2-pyridinyl]ethanone (CID 83119666) is 1-[5-[3,3-dimethylbutan-2-yl(methyl)amino]-2-pyridinyl]ethanone.
What is the SMILES notation for 1-[5-[3,3-dimethylbutan-2-yl(methyl)amino]-2-pyridinyl]ethanone?
The canonical SMILES for 1-[5-[3,3-dimethylbutan-2-yl(methyl)amino]-2-pyridinyl]ethanone is CC(=O)c1ccc(N(C)C(C)C(C)(C)C)cn1.
What is the InChIKey of 1-[5-[3,3-dimethylbutan-2-yl(methyl)amino]-2-pyridinyl]ethanone?
The InChIKey is RQPXENLBBZIJJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-10(17)13-8-7-12(9-15-13)16(6)11(2)14(3,4)5/h7-9,11H,1-6H3.
What are the key properties of 1-[5-[3,3-dimethylbutan-2-yl(methyl)amino]-2-pyridinyl]ethanone?
1-[5-[3,3-dimethylbutan-2-yl(methyl)amino]-2-pyridinyl]ethanone has a molecular weight of 234.34 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[3,3-dimethylbutan-2-yl(methyl)amino]-2-pyridinyl]ethanone is sourced from PubChem (CID 83119666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).