1-[2-(1-methoxypropan-2-ylamino)ethyl]pyridin-4-one

C11H18N2O2 — CID 62881207

IUPAC1-[2-(1-methoxypropan-2-ylamino)ethyl]pyridin-4-one
SMILESCOCC(C)NCCn1ccc(=O)cc1
InChIInChI=1S/C11H18N2O2/c1-10(9-15-2)12-5-8-13-6-3-11(14)4-7-13/h3-4,6-7,10,12H,5,8-9H2,1-2H3
InChIKeyPODJUWIPUHVCKI-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.47
Rot. Bonds6

About 1-[2-(1-methoxypropan-2-ylamino)ethyl]pyridin-4-one

1-[2-(1-methoxypropan-2-ylamino)ethyl]pyridin-4-one (PubChem CID 62881207) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 1-[2-(1-methoxypropan-2-ylamino)ethyl]pyridin-4-one.

Molecular Properties

Compound Name1-[2-(1-methoxypropan-2-ylamino)ethyl]pyridin-4-one
PubChem CID62881207
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name1-[2-(1-methoxypropan-2-ylamino)ethyl]pyridin-4-one
SMILESCOCC(C)NCCn1ccc(=O)cc1
InChIInChI=1S/C11H18N2O2/c1-10(9-15-2)12-5-8-13-6-3-11(14)4-7-13/h3-4,6-7,10,12H,5,8-9H2,1-2H3
InChIKeyPODJUWIPUHVCKI-UHFFFAOYSA-N
XLogP0.47
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-methoxypropan-2-ylamino)ethyl]pyridin-4-one?
The IUPAC name of 1-[2-(1-methoxypropan-2-ylamino)ethyl]pyridin-4-one (CID 62881207) is 1-[2-(1-methoxypropan-2-ylamino)ethyl]pyridin-4-one.
What is the SMILES notation for 1-[2-(1-methoxypropan-2-ylamino)ethyl]pyridin-4-one?
The canonical SMILES for 1-[2-(1-methoxypropan-2-ylamino)ethyl]pyridin-4-one is COCC(C)NCCn1ccc(=O)cc1.
What is the InChIKey of 1-[2-(1-methoxypropan-2-ylamino)ethyl]pyridin-4-one?
The InChIKey is PODJUWIPUHVCKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-10(9-15-2)12-5-8-13-6-3-11(14)4-7-13/h3-4,6-7,10,12H,5,8-9H2,1-2H3.
What are the key properties of 1-[2-(1-methoxypropan-2-ylamino)ethyl]pyridin-4-one?
1-[2-(1-methoxypropan-2-ylamino)ethyl]pyridin-4-one has a molecular weight of 210.28 g/mol, XLogP of 0.47, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-methoxypropan-2-ylamino)ethyl]pyridin-4-one is sourced from PubChem (CID 62881207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).