(1,5-dimethyl-3,6-dihydro-2H-pyridin-3-yl) 2,2-dimethylpropanoate

C12H21NO2 — CID 146627821

IUPAC(1,5-dimethyl-3,6-dihydro-2H-pyridin-3-yl) 2,2-dimethylpropanoate
SMILESCC1=CC(OC(=O)C(C)(C)C)CN(C)C1
InChIInChI=1S/C12H21NO2/c1-9-6-10(8-13(5)7-9)15-11(14)12(2,3)4/h6,10H,7-8H2,1-5H3
InChIKeyDXZCHTFAHZZBLP-UHFFFAOYSA-N
MW211.30 g/mol
LogP1.84
Rot. Bonds1

About (1,5-dimethyl-3,6-dihydro-2H-pyridin-3-yl) 2,2-dimethylpropanoate

(1,5-dimethyl-3,6-dihydro-2H-pyridin-3-yl) 2,2-dimethylpropanoate (PubChem CID 146627821) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is (1,5-dimethyl-3,6-dihydro-2H-pyridin-3-yl) 2,2-dimethylpropanoate.

Molecular Properties

Compound Name(1,5-dimethyl-3,6-dihydro-2H-pyridin-3-yl) 2,2-dimethylpropanoate
PubChem CID146627821
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name(1,5-dimethyl-3,6-dihydro-2H-pyridin-3-yl) 2,2-dimethylpropanoate
SMILESCC1=CC(OC(=O)C(C)(C)C)CN(C)C1
InChIInChI=1S/C12H21NO2/c1-9-6-10(8-13(5)7-9)15-11(14)12(2,3)4/h6,10H,7-8H2,1-5H3
InChIKeyDXZCHTFAHZZBLP-UHFFFAOYSA-N
XLogP1.84
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 51.84
H-Bond Donors ≤ 50
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 (1,5-dimethyl-3,6-dihydro-2H-pyridin-3-yl) 2,2-dimethylpropanoate?
The IUPAC name of (1,5-dimethyl-3,6-dihydro-2H-pyridin-3-yl) 2,2-dimethylpropanoate (CID 146627821) is (1,5-dimethyl-3,6-dihydro-2H-pyridin-3-yl) 2,2-dimethylpropanoate.
What is the SMILES notation for (1,5-dimethyl-3,6-dihydro-2H-pyridin-3-yl) 2,2-dimethylpropanoate?
The canonical SMILES for (1,5-dimethyl-3,6-dihydro-2H-pyridin-3-yl) 2,2-dimethylpropanoate is CC1=CC(OC(=O)C(C)(C)C)CN(C)C1.
What is the InChIKey of (1,5-dimethyl-3,6-dihydro-2H-pyridin-3-yl) 2,2-dimethylpropanoate?
The InChIKey is DXZCHTFAHZZBLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-9-6-10(8-13(5)7-9)15-11(14)12(2,3)4/h6,10H,7-8H2,1-5H3.
What are the key properties of (1,5-dimethyl-3,6-dihydro-2H-pyridin-3-yl) 2,2-dimethylpropanoate?
(1,5-dimethyl-3,6-dihydro-2H-pyridin-3-yl) 2,2-dimethylpropanoate has a molecular weight of 211.30 g/mol, XLogP of 1.84, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1,5-dimethyl-3,6-dihydro-2H-pyridin-3-yl) 2,2-dimethylpropanoate is sourced from PubChem (CID 146627821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).