2-[6-(aminomethyl)-3,6-dihydro-2H-pyridin-1-yl]-N,N-diethylacetamide

C12H23N3O — CID 82358711

IUPAC2-[6-(aminomethyl)-3,6-dihydro-2H-pyridin-1-yl]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CN1CCC=CC1CN
InChIInChI=1S/C12H23N3O/c1-3-14(4-2)12(16)10-15-8-6-5-7-11(15)9-13/h5,7,11H,3-4,6,8-10,13H2,1-2H3
InChIKeyMRCKMMXPYKTIQO-UHFFFAOYSA-N
MW225.34 g/mol
LogP0.44
Rot. Bonds5

About 2-[6-(aminomethyl)-3,6-dihydro-2H-pyridin-1-yl]-N,N-diethylacetamide

2-[6-(aminomethyl)-3,6-dihydro-2H-pyridin-1-yl]-N,N-diethylacetamide (PubChem CID 82358711) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 2-[6-(aminomethyl)-3,6-dihydro-2H-pyridin-1-yl]-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[6-(aminomethyl)-3,6-dihydro-2H-pyridin-1-yl]-N,N-diethylacetamide
PubChem CID82358711
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name2-[6-(aminomethyl)-3,6-dihydro-2H-pyridin-1-yl]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CN1CCC=CC1CN
InChIInChI=1S/C12H23N3O/c1-3-14(4-2)12(16)10-15-8-6-5-7-11(15)9-13/h5,7,11H,3-4,6,8-10,13H2,1-2H3
InChIKeyMRCKMMXPYKTIQO-UHFFFAOYSA-N
XLogP0.44
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 50.44
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-[6-(aminomethyl)-3,6-dihydro-2H-pyridin-1-yl]-N,N-diethylacetamide?
The IUPAC name of 2-[6-(aminomethyl)-3,6-dihydro-2H-pyridin-1-yl]-N,N-diethylacetamide (CID 82358711) is 2-[6-(aminomethyl)-3,6-dihydro-2H-pyridin-1-yl]-N,N-diethylacetamide.
What is the SMILES notation for 2-[6-(aminomethyl)-3,6-dihydro-2H-pyridin-1-yl]-N,N-diethylacetamide?
The canonical SMILES for 2-[6-(aminomethyl)-3,6-dihydro-2H-pyridin-1-yl]-N,N-diethylacetamide is CCN(CC)C(=O)CN1CCC=CC1CN.
What is the InChIKey of 2-[6-(aminomethyl)-3,6-dihydro-2H-pyridin-1-yl]-N,N-diethylacetamide?
The InChIKey is MRCKMMXPYKTIQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-3-14(4-2)12(16)10-15-8-6-5-7-11(15)9-13/h5,7,11H,3-4,6,8-10,13H2,1-2H3.
What are the key properties of 2-[6-(aminomethyl)-3,6-dihydro-2H-pyridin-1-yl]-N,N-diethylacetamide?
2-[6-(aminomethyl)-3,6-dihydro-2H-pyridin-1-yl]-N,N-diethylacetamide has a molecular weight of 225.34 g/mol, XLogP of 0.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(aminomethyl)-3,6-dihydro-2H-pyridin-1-yl]-N,N-diethylacetamide is sourced from PubChem (CID 82358711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).