2,2-dimethyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]propanamide

C12H22N2O — CID 107486866

IUPAC2,2-dimethyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]propanamide
SMILESCC(C)(C)C(=O)NCCC1=CCNCC1
InChIInChI=1S/C12H22N2O/c1-12(2,3)11(15)14-9-6-10-4-7-13-8-5-10/h4,13H,5-9H2,1-3H3,(H,14,15)
InChIKeyUBPJPUGASARSQC-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.46
Rot. Bonds3

About 2,2-dimethyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]propanamide

2,2-dimethyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]propanamide (PubChem CID 107486866) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 2,2-dimethyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]propanamide
PubChem CID107486866
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name2,2-dimethyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]propanamide
SMILESCC(C)(C)C(=O)NCCC1=CCNCC1
InChIInChI=1S/C12H22N2O/c1-12(2,3)11(15)14-9-6-10-4-7-13-8-5-10/h4,13H,5-9H2,1-3H3,(H,14,15)
InChIKeyUBPJPUGASARSQC-UHFFFAOYSA-N
XLogP1.46
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.46
H-Bond Donors ≤ 52
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 2,2-dimethyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]propanamide (CID 107486866) is 2,2-dimethyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]propanamide is CC(C)(C)C(=O)NCCC1=CCNCC1.
What is the InChIKey of 2,2-dimethyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]propanamide?
The InChIKey is UBPJPUGASARSQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-12(2,3)11(15)14-9-6-10-4-7-13-8-5-10/h4,13H,5-9H2,1-3H3,(H,14,15).
What are the key properties of 2,2-dimethyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]propanamide?
2,2-dimethyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]propanamide has a molecular weight of 210.32 g/mol, XLogP of 1.46, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]propanamide is sourced from PubChem (CID 107486866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).