N-[2-(3,6-dihydro-2H-pyridin-1-yl)ethyl]-N-methylacetamide

C10H18N2O — CID 58837130

IUPACN-[2-(3,6-dihydro-2H-pyridin-1-yl)ethyl]-N-methylacetamide
SMILESCC(=O)N(C)CCN1CC=CCC1
InChIInChI=1S/C10H18N2O/c1-10(13)11(2)8-9-12-6-4-3-5-7-12/h3-4H,5-9H2,1-2H3
InChIKeyZATLFSHVWAHCQO-UHFFFAOYSA-N
MW182.27 g/mol
LogP0.73
Rot. Bonds3

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

N-[2-(3,6-dihydro-2H-pyridin-1-yl)ethyl]-N-methylacetamide (PubChem CID 58837130) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is N-[2-(3,6-dihydro-2H-pyridin-1-yl)ethyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[2-(3,6-dihydro-2H-pyridin-1-yl)ethyl]-N-methylacetamide
PubChem CID58837130
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC NameN-[2-(3,6-dihydro-2H-pyridin-1-yl)ethyl]-N-methylacetamide
SMILESCC(=O)N(C)CCN1CC=CCC1
InChIInChI=1S/C10H18N2O/c1-10(13)11(2)8-9-12-6-4-3-5-7-12/h3-4H,5-9H2,1-2H3
InChIKeyZATLFSHVWAHCQO-UHFFFAOYSA-N
XLogP0.73
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 N-[2-(3,6-dihydro-2H-pyridin-1-yl)ethyl]-N-methylacetamide?
The IUPAC name of N-[2-(3,6-dihydro-2H-pyridin-1-yl)ethyl]-N-methylacetamide (CID 58837130) is N-[2-(3,6-dihydro-2H-pyridin-1-yl)ethyl]-N-methylacetamide.
What is the SMILES notation for N-[2-(3,6-dihydro-2H-pyridin-1-yl)ethyl]-N-methylacetamide?
The canonical SMILES for N-[2-(3,6-dihydro-2H-pyridin-1-yl)ethyl]-N-methylacetamide is CC(=O)N(C)CCN1CC=CCC1.
What is the InChIKey of N-[2-(3,6-dihydro-2H-pyridin-1-yl)ethyl]-N-methylacetamide?
The InChIKey is ZATLFSHVWAHCQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-10(13)11(2)8-9-12-6-4-3-5-7-12/h3-4H,5-9H2,1-2H3.
What are the key properties of N-[2-(3,6-dihydro-2H-pyridin-1-yl)ethyl]-N-methylacetamide?
N-[2-(3,6-dihydro-2H-pyridin-1-yl)ethyl]-N-methylacetamide has a molecular weight of 182.27 g/mol, XLogP of 0.73, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,6-dihydro-2H-pyridin-1-yl)ethyl]-N-methylacetamide is sourced from PubChem (CID 58837130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).