1-[4-[(2,2,5,5-tetramethyloxolan-3-yl)amino]butyl]pyridin-2-one

C17H28N2O2 — CID 75427745

IUPAC1-[4-[(2,2,5,5-tetramethyloxolan-3-yl)amino]butyl]pyridin-2-one
SMILESCC1(C)CC(NCCCCn2ccccc2=O)C(C)(C)O1
InChIInChI=1S/C17H28N2O2/c1-16(2)13-14(17(3,4)21-16)18-10-6-8-12-19-11-7-5-9-15(19)20/h5,7,9,11,14,18H,6,8,10,12-13H2,1-4H3
InChIKeyGOHHVLUPJVNPKY-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.56
Rot. Bonds6

About 1-[4-[(2,2,5,5-tetramethyloxolan-3-yl)amino]butyl]pyridin-2-one

1-[4-[(2,2,5,5-tetramethyloxolan-3-yl)amino]butyl]pyridin-2-one (PubChem CID 75427745) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 1-[4-[(2,2,5,5-tetramethyloxolan-3-yl)amino]butyl]pyridin-2-one.

Molecular Properties

Compound Name1-[4-[(2,2,5,5-tetramethyloxolan-3-yl)amino]butyl]pyridin-2-one
PubChem CID75427745
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name1-[4-[(2,2,5,5-tetramethyloxolan-3-yl)amino]butyl]pyridin-2-one
SMILESCC1(C)CC(NCCCCn2ccccc2=O)C(C)(C)O1
InChIInChI=1S/C17H28N2O2/c1-16(2)13-14(17(3,4)21-16)18-10-6-8-12-19-11-7-5-9-15(19)20/h5,7,9,11,14,18H,6,8,10,12-13H2,1-4H3
InChIKeyGOHHVLUPJVNPKY-UHFFFAOYSA-N
XLogP2.56
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.56
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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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2,2,5,5-tetramethyloxolan-3-yl)amino]butyl]pyridin-2-one?
The IUPAC name of 1-[4-[(2,2,5,5-tetramethyloxolan-3-yl)amino]butyl]pyridin-2-one (CID 75427745) is 1-[4-[(2,2,5,5-tetramethyloxolan-3-yl)amino]butyl]pyridin-2-one.
What is the SMILES notation for 1-[4-[(2,2,5,5-tetramethyloxolan-3-yl)amino]butyl]pyridin-2-one?
The canonical SMILES for 1-[4-[(2,2,5,5-tetramethyloxolan-3-yl)amino]butyl]pyridin-2-one is CC1(C)CC(NCCCCn2ccccc2=O)C(C)(C)O1.
What is the InChIKey of 1-[4-[(2,2,5,5-tetramethyloxolan-3-yl)amino]butyl]pyridin-2-one?
The InChIKey is GOHHVLUPJVNPKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-16(2)13-14(17(3,4)21-16)18-10-6-8-12-19-11-7-5-9-15(19)20/h5,7,9,11,14,18H,6,8,10,12-13H2,1-4H3.
What are the key properties of 1-[4-[(2,2,5,5-tetramethyloxolan-3-yl)amino]butyl]pyridin-2-one?
1-[4-[(2,2,5,5-tetramethyloxolan-3-yl)amino]butyl]pyridin-2-one has a molecular weight of 292.42 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2,2,5,5-tetramethyloxolan-3-yl)amino]butyl]pyridin-2-one is sourced from PubChem (CID 75427745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).