3-amino-1-(2-butoxyethyl)pyridin-4-one

C11H18N2O2 — CID 82991382

IUPAC3-amino-1-(2-butoxyethyl)pyridin-4-one
SMILESCCCCOCCn1ccc(=O)c(N)c1
InChIInChI=1S/C11H18N2O2/c1-2-3-7-15-8-6-13-5-4-11(14)10(12)9-13/h4-5,9H,2-3,6-8,12H2,1H3
InChIKeyRRGKTWKXHSSDAL-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.25
Rot. Bonds6

About 3-amino-1-(2-butoxyethyl)pyridin-4-one

3-amino-1-(2-butoxyethyl)pyridin-4-one (PubChem CID 82991382) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 3-amino-1-(2-butoxyethyl)pyridin-4-one.

Molecular Properties

Compound Name3-amino-1-(2-butoxyethyl)pyridin-4-one
PubChem CID82991382
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name3-amino-1-(2-butoxyethyl)pyridin-4-one
SMILESCCCCOCCn1ccc(=O)c(N)c1
InChIInChI=1S/C11H18N2O2/c1-2-3-7-15-8-6-13-5-4-11(14)10(12)9-13/h4-5,9H,2-3,6-8,12H2,1H3
InChIKeyRRGKTWKXHSSDAL-UHFFFAOYSA-N
XLogP1.25
TPSA57.25 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 ≤ 51.25
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

3-Amino-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyridin-4-one
CID 82991600
3-Amino-1-[2-(trifluoromethoxy)ethyl]-1,4-dihydropyridin-4-one
CID 82993013
Ethyl 2-[(2-amino-3-oxobut-1-enyl)-methylamino]acetate
CID 176684183
1-[2-(2-Butoxyethylamino)ethyl]pyridin-4-one
CID 55127759
1-(3-Amino-2-ethoxypropyl)pyridin-4-one
CID 63072356
1-[2-(2-Aminoethoxy)ethyl]pyridin-4-one
CID 82143929
3-Amino-1-[(4-ethylmorpholin-2-yl)methyl]pyridin-4-one
CID 82989432
3-Amino-1-(2-ethoxyethyl)-1,4-dihydropyridin-4-one
CID 82990001
3-Amino-1-[2-(2-methoxyethoxy)ethyl]-1,4-dihydropyridin-4-one
CID 82990005
Ethyl 2-(3-amino-4-oxo-1,4-dihydropyridin-1-yl)acetate
CID 82990578
3-Amino-1-(2-morpholin-4-ylethyl)pyridin-4-one
CID 82990585
Methyl 2-(3-amino-4-oxo-1,4-dihydropyridin-1-yl)acetate
CID 82990825

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(2-butoxyethyl)pyridin-4-one?
The IUPAC name of 3-amino-1-(2-butoxyethyl)pyridin-4-one (CID 82991382) is 3-amino-1-(2-butoxyethyl)pyridin-4-one.
What is the SMILES notation for 3-amino-1-(2-butoxyethyl)pyridin-4-one?
The canonical SMILES for 3-amino-1-(2-butoxyethyl)pyridin-4-one is CCCCOCCn1ccc(=O)c(N)c1.
What is the InChIKey of 3-amino-1-(2-butoxyethyl)pyridin-4-one?
The InChIKey is RRGKTWKXHSSDAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-2-3-7-15-8-6-13-5-4-11(14)10(12)9-13/h4-5,9H,2-3,6-8,12H2,1H3.
What are the key properties of 3-amino-1-(2-butoxyethyl)pyridin-4-one?
3-amino-1-(2-butoxyethyl)pyridin-4-one has a molecular weight of 210.28 g/mol, XLogP of 1.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(2-butoxyethyl)pyridin-4-one is sourced from PubChem (CID 82991382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).