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

C14H25N3O — CID 82907637

IUPAC1-[2-[(3-amino-2,2-dimethylpropyl)-ethylamino]ethyl]pyridin-2-one
SMILESCCN(CCn1ccccc1=O)CC(C)(C)CN
InChIInChI=1S/C14H25N3O/c1-4-16(12-14(2,3)11-15)9-10-17-8-6-5-7-13(17)18/h5-8H,4,9-12,15H2,1-3H3
InChIKeyYSCFUEXWJSMGOI-UHFFFAOYSA-N
MW251.37 g/mol
LogP1.16
Rot. Bonds7

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

1-[2-[(3-amino-2,2-dimethylpropyl)-ethylamino]ethyl]pyridin-2-one (PubChem CID 82907637) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 1-[2-[(3-amino-2,2-dimethylpropyl)-ethylamino]ethyl]pyridin-2-one.

Molecular Properties

Compound Name1-[2-[(3-amino-2,2-dimethylpropyl)-ethylamino]ethyl]pyridin-2-one
PubChem CID82907637
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name1-[2-[(3-amino-2,2-dimethylpropyl)-ethylamino]ethyl]pyridin-2-one
SMILESCCN(CCn1ccccc1=O)CC(C)(C)CN
InChIInChI=1S/C14H25N3O/c1-4-16(12-14(2,3)11-15)9-10-17-8-6-5-7-13(17)18/h5-8H,4,9-12,15H2,1-3H3
InChIKeyYSCFUEXWJSMGOI-UHFFFAOYSA-N
XLogP1.16
TPSA51.26 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 ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-amino-4,4-dimethylpentyl)pyridin-2-one
CID 65254501
3-[ethyl-[2-(2-oxo-1-pyridinyl)ethyl]amino]-N'-hydroxy-2-methylpropanimidamide
CID 82897981
1-(diethylaminomethyl)pyridin-2-one
CID 18613535
N'-ethyl-2,2-dimethyl-N'-(3-phenylbutyl)propane-1,3-diamine
CID 79659967
1-[2-(1-amino-2-methylpropan-2-yl)oxyethyl]pyridin-2-one
CID 82896586
1-[2-[2-(methylamino)ethyl-propylamino]ethyl]pyridin-2-one
CID 82897505
N'-ethyl-2,2-dimethyl-N'-(3-methylbutyl)propane-1,3-diamine
CID 79660847
1-[2-[(4-aminocyclohexyl)-ethylamino]ethyl]pyridin-2-one
CID 82907487
1-[2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]ethyl]pyridin-2-one
CID 82897187
N'-ethyl-2,2-dimethyl-N'-[2-(2-methylpyrazol-3-yl)ethyl]propane-1,3-diamine
CID 103005291
1-(2-amino-2-methylpropyl)pyridin-2-one
CID 82144133
2-[methyl-[2-(2-oxo-1-pyridinyl)ethyl]amino]ethanethioamide
CID 82897140

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3-amino-2,2-dimethylpropyl)-ethylamino]ethyl]pyridin-2-one?
The IUPAC name of 1-[2-[(3-amino-2,2-dimethylpropyl)-ethylamino]ethyl]pyridin-2-one (CID 82907637) is 1-[2-[(3-amino-2,2-dimethylpropyl)-ethylamino]ethyl]pyridin-2-one.
What is the SMILES notation for 1-[2-[(3-amino-2,2-dimethylpropyl)-ethylamino]ethyl]pyridin-2-one?
The canonical SMILES for 1-[2-[(3-amino-2,2-dimethylpropyl)-ethylamino]ethyl]pyridin-2-one is CCN(CCn1ccccc1=O)CC(C)(C)CN.
What is the InChIKey of 1-[2-[(3-amino-2,2-dimethylpropyl)-ethylamino]ethyl]pyridin-2-one?
The InChIKey is YSCFUEXWJSMGOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-4-16(12-14(2,3)11-15)9-10-17-8-6-5-7-13(17)18/h5-8H,4,9-12,15H2,1-3H3.
What are the key properties of 1-[2-[(3-amino-2,2-dimethylpropyl)-ethylamino]ethyl]pyridin-2-one?
1-[2-[(3-amino-2,2-dimethylpropyl)-ethylamino]ethyl]pyridin-2-one has a molecular weight of 251.37 g/mol, XLogP of 1.16, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3-amino-2,2-dimethylpropyl)-ethylamino]ethyl]pyridin-2-one is sourced from PubChem (CID 82907637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).