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

C9H16N2O2 — CID 114409769

IUPAC2-amino-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
SMILESCOCC1=CCN(C(=O)CN)CC1
InChIInChI=1S/C9H16N2O2/c1-13-7-8-2-4-11(5-3-8)9(12)6-10/h2H,3-7,10H2,1H3
InChIKeyUYDHOTZGVXPDBI-UHFFFAOYSA-N
MW184.24 g/mol
LogP-0.25
Rot. Bonds3

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

2-amino-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone (PubChem CID 114409769) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 2-amino-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone.

Molecular Properties

Compound Name2-amino-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
PubChem CID114409769
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name2-amino-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
SMILESCOCC1=CCN(C(=O)CN)CC1
InChIInChI=1S/C9H16N2O2/c1-13-7-8-2-4-11(5-3-8)9(12)6-10/h2H,3-7,10H2,1H3
InChIKeyUYDHOTZGVXPDBI-UHFFFAOYSA-N
XLogP-0.25
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 5-0.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone?
The IUPAC name of 2-amino-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone (CID 114409769) is 2-amino-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone.
What is the SMILES notation for 2-amino-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone?
The canonical SMILES for 2-amino-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone is COCC1=CCN(C(=O)CN)CC1.
What is the InChIKey of 2-amino-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone?
The InChIKey is UYDHOTZGVXPDBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-13-7-8-2-4-11(5-3-8)9(12)6-10/h2H,3-7,10H2,1H3.
What are the key properties of 2-amino-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone?
2-amino-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone has a molecular weight of 184.24 g/mol, XLogP of -0.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone is sourced from PubChem (CID 114409769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).