3-(2-aminopropan-2-yl)-1-(3-methoxypropyl)-6-propan-2-ylpyridin-2-one

C15H26N2O2 — CID 82524040

IUPAC3-(2-aminopropan-2-yl)-1-(3-methoxypropyl)-6-propan-2-ylpyridin-2-one
SMILESCOCCCn1c(C(C)C)ccc(C(C)(C)N)c1=O
InChIInChI=1S/C15H26N2O2/c1-11(2)13-8-7-12(15(3,4)16)14(18)17(13)9-6-10-19-5/h7-8,11H,6,9-10,16H2,1-5H3
InChIKeyQTEHCUTVOCFYKY-UHFFFAOYSA-N
MW266.38 g/mol
LogP2.20
Rot. Bonds6

About 3-(2-aminopropan-2-yl)-1-(3-methoxypropyl)-6-propan-2-ylpyridin-2-one

3-(2-aminopropan-2-yl)-1-(3-methoxypropyl)-6-propan-2-ylpyridin-2-one (PubChem CID 82524040) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is 3-(2-aminopropan-2-yl)-1-(3-methoxypropyl)-6-propan-2-ylpyridin-2-one.

Molecular Properties

Compound Name3-(2-aminopropan-2-yl)-1-(3-methoxypropyl)-6-propan-2-ylpyridin-2-one
PubChem CID82524040
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name3-(2-aminopropan-2-yl)-1-(3-methoxypropyl)-6-propan-2-ylpyridin-2-one
SMILESCOCCCn1c(C(C)C)ccc(C(C)(C)N)c1=O
InChIInChI=1S/C15H26N2O2/c1-11(2)13-8-7-12(15(3,4)16)14(18)17(13)9-6-10-19-5/h7-8,11H,6,9-10,16H2,1-5H3
InChIKeyQTEHCUTVOCFYKY-UHFFFAOYSA-N
XLogP2.20
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[1-(3-methoxypropyl)-2-oxo-6-propan-2-yl-3-pyridinyl]acetonitrile
CID 82524044
3-(2-aminopropan-2-yl)-1-(3-methoxypropyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
CID 82522751
1-(3-methoxypropyl)-6-propan-2-yl-3-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)pyridin-2-one
CID 82524029
1-butyl-3-[(2-methoxyethylamino)methyl]-6-propan-2-ylpyridin-2-one
CID 82524343
3-(2-amino-1,3-thiazol-4-yl)-1-(2-methoxyethyl)-6-propan-2-ylpyridin-2-one
CID 82524073
3-(aminomethyl)-6-tert-butyl-1-(3-methoxypropyl)pyridin-2-one
CID 82189045
2-[1-(2-methoxyethyl)-2-oxo-6-propan-2-yl-3-pyridinyl]acetonitrile
CID 82524085
6-tert-butyl-1-(3-methoxypropyl)-2-oxopyridine-3-carbaldehyde
CID 82523464
3-(3-methoxypropyl)-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one
CID 16767686
4-(2-aminopropan-2-yl)-2-(2-methoxyethyl)-6-thiophen-2-ylpyridazin-3-one
CID 82447694
3-(2-hydroxypropan-2-yl)-1-(3-methoxypropyl)-4,6-dimethylpyridin-2-one
CID 82525632
6-tert-butyl-3-[(2-methoxyethylamino)methyl]-1-(3-methoxypropyl)pyridin-2-one
CID 82523455

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminopropan-2-yl)-1-(3-methoxypropyl)-6-propan-2-ylpyridin-2-one?
The IUPAC name of 3-(2-aminopropan-2-yl)-1-(3-methoxypropyl)-6-propan-2-ylpyridin-2-one (CID 82524040) is 3-(2-aminopropan-2-yl)-1-(3-methoxypropyl)-6-propan-2-ylpyridin-2-one.
What is the SMILES notation for 3-(2-aminopropan-2-yl)-1-(3-methoxypropyl)-6-propan-2-ylpyridin-2-one?
The canonical SMILES for 3-(2-aminopropan-2-yl)-1-(3-methoxypropyl)-6-propan-2-ylpyridin-2-one is COCCCn1c(C(C)C)ccc(C(C)(C)N)c1=O.
What is the InChIKey of 3-(2-aminopropan-2-yl)-1-(3-methoxypropyl)-6-propan-2-ylpyridin-2-one?
The InChIKey is QTEHCUTVOCFYKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-11(2)13-8-7-12(15(3,4)16)14(18)17(13)9-6-10-19-5/h7-8,11H,6,9-10,16H2,1-5H3.
What are the key properties of 3-(2-aminopropan-2-yl)-1-(3-methoxypropyl)-6-propan-2-ylpyridin-2-one?
3-(2-aminopropan-2-yl)-1-(3-methoxypropyl)-6-propan-2-ylpyridin-2-one has a molecular weight of 266.38 g/mol, XLogP of 2.20, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminopropan-2-yl)-1-(3-methoxypropyl)-6-propan-2-ylpyridin-2-one is sourced from PubChem (CID 82524040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).