4-amino-1-(3,6-dihydro-2H-pyridin-1-yl)-3-methoxybutan-1-one

C10H18N2O2 — CID 103156814

IUPAC4-amino-1-(3,6-dihydro-2H-pyridin-1-yl)-3-methoxybutan-1-one
SMILESCOC(CN)CC(=O)N1CC=CCC1
InChIInChI=1S/C10H18N2O2/c1-14-9(8-11)7-10(13)12-5-3-2-4-6-12/h2-3,9H,4-8,11H2,1H3
InChIKeyGPYXZHWDBFPOBO-UHFFFAOYSA-N
MW198.27 g/mol
LogP0.14
Rot. Bonds4

About 4-amino-1-(3,6-dihydro-2H-pyridin-1-yl)-3-methoxybutan-1-one

4-amino-1-(3,6-dihydro-2H-pyridin-1-yl)-3-methoxybutan-1-one (PubChem CID 103156814) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 4-amino-1-(3,6-dihydro-2H-pyridin-1-yl)-3-methoxybutan-1-one.

Molecular Properties

Compound Name4-amino-1-(3,6-dihydro-2H-pyridin-1-yl)-3-methoxybutan-1-one
PubChem CID103156814
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name4-amino-1-(3,6-dihydro-2H-pyridin-1-yl)-3-methoxybutan-1-one
SMILESCOC(CN)CC(=O)N1CC=CCC1
InChIInChI=1S/C10H18N2O2/c1-14-9(8-11)7-10(13)12-5-3-2-4-6-12/h2-3,9H,4-8,11H2,1H3
InChIKeyGPYXZHWDBFPOBO-UHFFFAOYSA-N
XLogP0.14
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-amino-1-(3,6-dihydro-2H-pyridin-1-yl)-3-methoxybutan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(3,6-dihydro-2H-pyridin-1-yl)-3-methoxybutan-1-one?
The IUPAC name of 4-amino-1-(3,6-dihydro-2H-pyridin-1-yl)-3-methoxybutan-1-one (CID 103156814) is 4-amino-1-(3,6-dihydro-2H-pyridin-1-yl)-3-methoxybutan-1-one.
What is the SMILES notation for 4-amino-1-(3,6-dihydro-2H-pyridin-1-yl)-3-methoxybutan-1-one?
The canonical SMILES for 4-amino-1-(3,6-dihydro-2H-pyridin-1-yl)-3-methoxybutan-1-one is COC(CN)CC(=O)N1CC=CCC1.
What is the InChIKey of 4-amino-1-(3,6-dihydro-2H-pyridin-1-yl)-3-methoxybutan-1-one?
The InChIKey is GPYXZHWDBFPOBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-14-9(8-11)7-10(13)12-5-3-2-4-6-12/h2-3,9H,4-8,11H2,1H3.
What are the key properties of 4-amino-1-(3,6-dihydro-2H-pyridin-1-yl)-3-methoxybutan-1-one?
4-amino-1-(3,6-dihydro-2H-pyridin-1-yl)-3-methoxybutan-1-one has a molecular weight of 198.27 g/mol, XLogP of 0.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(3,6-dihydro-2H-pyridin-1-yl)-3-methoxybutan-1-one is sourced from PubChem (CID 103156814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).