3-amino-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2,2-dimethylpropan-1-one

C12H22N2O2 — CID 114409680

IUPAC3-amino-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2,2-dimethylpropan-1-one
SMILESCOCC1=CCN(C(=O)C(C)(C)CN)CC1
InChIInChI=1S/C12H22N2O2/c1-12(2,9-13)11(15)14-6-4-10(5-7-14)8-16-3/h4H,5-9,13H2,1-3H3
InChIKeyFELMTCSJZGAYDX-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.78
Rot. Bonds4

About 3-amino-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2,2-dimethylpropan-1-one

3-amino-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2,2-dimethylpropan-1-one (PubChem CID 114409680) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 3-amino-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name3-amino-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2,2-dimethylpropan-1-one
PubChem CID114409680
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name3-amino-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2,2-dimethylpropan-1-one
SMILESCOCC1=CCN(C(=O)C(C)(C)CN)CC1
InChIInChI=1S/C12H22N2O2/c1-12(2,9-13)11(15)14-6-4-10(5-7-14)8-16-3/h4H,5-9,13H2,1-3H3
InChIKeyFELMTCSJZGAYDX-UHFFFAOYSA-N
XLogP0.78
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.78
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

N-(3,6-dihydro-2H-pyran-4-ylmethyl)-2-methylpropanamide
CID 58548429
N-(3,6-dihydro-2H-pyran-4-ylmethyl)-2,2-dimethylpropanamide
CID 130973897
(2R)-2-amino-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-3,3-dimethylbutan-1-one
CID 104921251
(2R)-2-amino-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one
CID 104921258
(2R)-2-amino-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-one
CID 104921263
(2S)-2-amino-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-3,3-dimethylbutan-1-one
CID 104921266
(2S)-2-amino-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one
CID 104921267
(2S)-2-amino-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-one
CID 104921275
3-amino-2-methoxy-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one
CID 106113959
2-(aminomethyl)-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-4,4-dimethylpentan-1-one
CID 107472800
3-(2-aminoethoxy)-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one
CID 112739079
2-amino-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-3,3-dimethylbutan-1-one
CID 113581420

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2,2-dimethylpropan-1-one?
The IUPAC name of 3-amino-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2,2-dimethylpropan-1-one (CID 114409680) is 3-amino-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2,2-dimethylpropan-1-one.
What is the SMILES notation for 3-amino-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2,2-dimethylpropan-1-one?
The canonical SMILES for 3-amino-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2,2-dimethylpropan-1-one is COCC1=CCN(C(=O)C(C)(C)CN)CC1.
What is the InChIKey of 3-amino-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2,2-dimethylpropan-1-one?
The InChIKey is FELMTCSJZGAYDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-12(2,9-13)11(15)14-6-4-10(5-7-14)8-16-3/h4H,5-9,13H2,1-3H3.
What are the key properties of 3-amino-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2,2-dimethylpropan-1-one?
3-amino-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2,2-dimethylpropan-1-one has a molecular weight of 226.32 g/mol, XLogP of 0.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 114409680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).