4-amino-3-methoxy-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)butan-1-one

C11H20N2O2 — CID 106314069

IUPAC4-amino-3-methoxy-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)butan-1-one
SMILESCOC(CN)CC(=O)N1CCC=C(C)C1
InChIInChI=1S/C11H20N2O2/c1-9-4-3-5-13(8-9)11(14)6-10(7-12)15-2/h4,10H,3,5-8,12H2,1-2H3
InChIKeyALRHNHPUIXBJFC-UHFFFAOYSA-N
MW212.29 g/mol
LogP0.53
Rot. Bonds4

About 4-amino-3-methoxy-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)butan-1-one

4-amino-3-methoxy-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)butan-1-one (PubChem CID 106314069) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 4-amino-3-methoxy-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)butan-1-one.

Molecular Properties

Compound Name4-amino-3-methoxy-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)butan-1-one
PubChem CID106314069
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name4-amino-3-methoxy-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)butan-1-one
SMILESCOC(CN)CC(=O)N1CCC=C(C)C1
InChIInChI=1S/C11H20N2O2/c1-9-4-3-5-13(8-9)11(14)6-10(7-12)15-2/h4,10H,3,5-8,12H2,1-2H3
InChIKeyALRHNHPUIXBJFC-UHFFFAOYSA-N
XLogP0.53
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-3-methoxy-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-one
CID 113782018
2-morpholin-2-yl-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 114489867
3-methoxy-3-methyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)butanamide
CID 103021678
4-amino-3-methoxy-N,N-bis(prop-2-enyl)butanamide
CID 103154234
4-amino-N-ethyl-3-methoxy-N-(2-methylprop-2-enyl)butanamide
CID 103154235
4-amino-3-methoxy-N-methyl-N-prop-2-enylbutanamide
CID 103156480
4-amino-N-ethyl-3-methoxy-N-prop-2-enylbutanamide
CID 103156481
4-amino-3-methoxy-N-prop-2-enyl-N-propylbutanamide
CID 103156482
4-amino-N-tert-butyl-3-methoxy-N-prop-2-enylbutanamide
CID 103156484
4-amino-3-methoxy-N-[(E)-pent-3-enyl]butanamide
CID 103156649
4-amino-3-methoxy-N-methyl-N-(2-methylprop-2-enyl)butanamide
CID 103156724
4-amino-3-methoxy-N-methyl-N-pent-4-enylbutanamide
CID 103156731

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methoxy-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)butan-1-one?
The IUPAC name of 4-amino-3-methoxy-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)butan-1-one (CID 106314069) is 4-amino-3-methoxy-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)butan-1-one.
What is the SMILES notation for 4-amino-3-methoxy-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)butan-1-one?
The canonical SMILES for 4-amino-3-methoxy-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)butan-1-one is COC(CN)CC(=O)N1CCC=C(C)C1.
What is the InChIKey of 4-amino-3-methoxy-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)butan-1-one?
The InChIKey is ALRHNHPUIXBJFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-9-4-3-5-13(8-9)11(14)6-10(7-12)15-2/h4,10H,3,5-8,12H2,1-2H3.
What are the key properties of 4-amino-3-methoxy-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)butan-1-one?
4-amino-3-methoxy-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)butan-1-one has a molecular weight of 212.29 g/mol, XLogP of 0.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methoxy-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)butan-1-one is sourced from PubChem (CID 106314069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).