1-[2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]ethyl]pyridin-2-one

C14H25N3O — CID 82897187

IUPAC1-[2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]ethyl]pyridin-2-one
SMILESCN(C)CC(C)(C)CNCCn1ccccc1=O
InChIInChI=1S/C14H25N3O/c1-14(2,12-16(3)4)11-15-8-10-17-9-6-5-7-13(17)18/h5-7,9,15H,8,10-12H2,1-4H3
InChIKeyCHROIOOZKFOGAI-UHFFFAOYSA-N
MW251.37 g/mol
LogP1.03
Rot. Bonds7

About 1-[2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]ethyl]pyridin-2-one

1-[2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]ethyl]pyridin-2-one (PubChem CID 82897187) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 1-[2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]ethyl]pyridin-2-one.

Molecular Properties

Compound Name1-[2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]ethyl]pyridin-2-one
PubChem CID82897187
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name1-[2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]ethyl]pyridin-2-one
SMILESCN(C)CC(C)(C)CNCCn1ccccc1=O
InChIInChI=1S/C14H25N3O/c1-14(2,12-16(3)4)11-15-8-10-17-9-6-5-7-13(17)18/h5-7,9,15H,8,10-12H2,1-4H3
InChIKeyCHROIOOZKFOGAI-UHFFFAOYSA-N
XLogP1.03
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 51.03
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-[2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]ethyl]pyridin-2-one?
The IUPAC name of 1-[2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]ethyl]pyridin-2-one (CID 82897187) is 1-[2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]ethyl]pyridin-2-one.
What is the SMILES notation for 1-[2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]ethyl]pyridin-2-one?
The canonical SMILES for 1-[2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]ethyl]pyridin-2-one is CN(C)CC(C)(C)CNCCn1ccccc1=O.
What is the InChIKey of 1-[2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]ethyl]pyridin-2-one?
The InChIKey is CHROIOOZKFOGAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-14(2,12-16(3)4)11-15-8-10-17-9-6-5-7-13(17)18/h5-7,9,15H,8,10-12H2,1-4H3.
What are the key properties of 1-[2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]ethyl]pyridin-2-one?
1-[2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]ethyl]pyridin-2-one has a molecular weight of 251.37 g/mol, XLogP of 1.03, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]ethyl]pyridin-2-one is sourced from PubChem (CID 82897187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).