2-[6-(aminomethyl)-3,6-dihydro-2H-pyridin-1-yl]-1-morpholin-4-ylethanone

C12H21N3O2 — CID 82358706

IUPAC2-[6-(aminomethyl)-3,6-dihydro-2H-pyridin-1-yl]-1-morpholin-4-ylethanone
SMILESNCC1C=CCCN1CC(=O)N1CCOCC1
InChIInChI=1S/C12H21N3O2/c13-9-11-3-1-2-4-15(11)10-12(16)14-5-7-17-8-6-14/h1,3,11H,2,4-10,13H2
InChIKeyALLVYWHEEWTUMB-UHFFFAOYSA-N
MW239.32 g/mol
LogP-0.57
Rot. Bonds3

About 2-[6-(aminomethyl)-3,6-dihydro-2H-pyridin-1-yl]-1-morpholin-4-ylethanone

2-[6-(aminomethyl)-3,6-dihydro-2H-pyridin-1-yl]-1-morpholin-4-ylethanone (PubChem CID 82358706) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 2-[6-(aminomethyl)-3,6-dihydro-2H-pyridin-1-yl]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[6-(aminomethyl)-3,6-dihydro-2H-pyridin-1-yl]-1-morpholin-4-ylethanone
PubChem CID82358706
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name2-[6-(aminomethyl)-3,6-dihydro-2H-pyridin-1-yl]-1-morpholin-4-ylethanone
SMILESNCC1C=CCCN1CC(=O)N1CCOCC1
InChIInChI=1S/C12H21N3O2/c13-9-11-3-1-2-4-15(11)10-12(16)14-5-7-17-8-6-14/h1,3,11H,2,4-10,13H2
InChIKeyALLVYWHEEWTUMB-UHFFFAOYSA-N
XLogP-0.57
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 5-0.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[6-(aminomethyl)-3,6-dihydro-2H-pyridin-1-yl]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[6-(aminomethyl)-3,6-dihydro-2H-pyridin-1-yl]-1-morpholin-4-ylethanone (CID 82358706) is 2-[6-(aminomethyl)-3,6-dihydro-2H-pyridin-1-yl]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[6-(aminomethyl)-3,6-dihydro-2H-pyridin-1-yl]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[6-(aminomethyl)-3,6-dihydro-2H-pyridin-1-yl]-1-morpholin-4-ylethanone is NCC1C=CCCN1CC(=O)N1CCOCC1.
What is the InChIKey of 2-[6-(aminomethyl)-3,6-dihydro-2H-pyridin-1-yl]-1-morpholin-4-ylethanone?
The InChIKey is ALLVYWHEEWTUMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c13-9-11-3-1-2-4-15(11)10-12(16)14-5-7-17-8-6-14/h1,3,11H,2,4-10,13H2.
What are the key properties of 2-[6-(aminomethyl)-3,6-dihydro-2H-pyridin-1-yl]-1-morpholin-4-ylethanone?
2-[6-(aminomethyl)-3,6-dihydro-2H-pyridin-1-yl]-1-morpholin-4-ylethanone has a molecular weight of 239.32 g/mol, XLogP of -0.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(aminomethyl)-3,6-dihydro-2H-pyridin-1-yl]-1-morpholin-4-ylethanone is sourced from PubChem (CID 82358706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).