2-[6-ethyl-3-(oxolan-3-yl)-1,2-dihydropyridin-2-yl]-N,N-dimethylpropan-2-amine

C16H28N2O — CID 165400270

IUPAC2-[6-ethyl-3-(oxolan-3-yl)-1,2-dihydropyridin-2-yl]-N,N-dimethylpropan-2-amine
SMILESCCC1=CC=C(C2CCOC2)C(C(C)(C)N(C)C)N1
InChIInChI=1S/C16H28N2O/c1-6-13-7-8-14(12-9-10-19-11-12)15(17-13)16(2,3)18(4)5/h7-8,12,15,17H,6,9-11H2,1-5H3
InChIKeyWALJYWCMCWEQQE-UHFFFAOYSA-N
MW264.41 g/mol
LogP2.56
Rot. Bonds4

About 2-[6-ethyl-3-(oxolan-3-yl)-1,2-dihydropyridin-2-yl]-N,N-dimethylpropan-2-amine

2-[6-ethyl-3-(oxolan-3-yl)-1,2-dihydropyridin-2-yl]-N,N-dimethylpropan-2-amine (PubChem CID 165400270) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 2-[6-ethyl-3-(oxolan-3-yl)-1,2-dihydropyridin-2-yl]-N,N-dimethylpropan-2-amine.

Molecular Properties

Compound Name2-[6-ethyl-3-(oxolan-3-yl)-1,2-dihydropyridin-2-yl]-N,N-dimethylpropan-2-amine
PubChem CID165400270
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name2-[6-ethyl-3-(oxolan-3-yl)-1,2-dihydropyridin-2-yl]-N,N-dimethylpropan-2-amine
SMILESCCC1=CC=C(C2CCOC2)C(C(C)(C)N(C)C)N1
InChIInChI=1S/C16H28N2O/c1-6-13-7-8-14(12-9-10-19-11-12)15(17-13)16(2,3)18(4)5/h7-8,12,15,17H,6,9-11H2,1-5H3
InChIKeyWALJYWCMCWEQQE-UHFFFAOYSA-N
XLogP2.56
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-1-[6-methyl-3-(3-methyloxolan-3-yl)-1,2-dihydropyridin-2-yl]methanamine;ethane
CID 164926946
N,N-dimethyl-1-[6-methyl-3-(3-methyloxolan-3-yl)-1,2-dihydropyridin-2-yl]methanamine
CID 164926947

Frequently Asked Questions

What is the IUPAC name of 2-[6-ethyl-3-(oxolan-3-yl)-1,2-dihydropyridin-2-yl]-N,N-dimethylpropan-2-amine?
The IUPAC name of 2-[6-ethyl-3-(oxolan-3-yl)-1,2-dihydropyridin-2-yl]-N,N-dimethylpropan-2-amine (CID 165400270) is 2-[6-ethyl-3-(oxolan-3-yl)-1,2-dihydropyridin-2-yl]-N,N-dimethylpropan-2-amine.
What is the SMILES notation for 2-[6-ethyl-3-(oxolan-3-yl)-1,2-dihydropyridin-2-yl]-N,N-dimethylpropan-2-amine?
The canonical SMILES for 2-[6-ethyl-3-(oxolan-3-yl)-1,2-dihydropyridin-2-yl]-N,N-dimethylpropan-2-amine is CCC1=CC=C(C2CCOC2)C(C(C)(C)N(C)C)N1.
What is the InChIKey of 2-[6-ethyl-3-(oxolan-3-yl)-1,2-dihydropyridin-2-yl]-N,N-dimethylpropan-2-amine?
The InChIKey is WALJYWCMCWEQQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-6-13-7-8-14(12-9-10-19-11-12)15(17-13)16(2,3)18(4)5/h7-8,12,15,17H,6,9-11H2,1-5H3.
What are the key properties of 2-[6-ethyl-3-(oxolan-3-yl)-1,2-dihydropyridin-2-yl]-N,N-dimethylpropan-2-amine?
2-[6-ethyl-3-(oxolan-3-yl)-1,2-dihydropyridin-2-yl]-N,N-dimethylpropan-2-amine has a molecular weight of 264.41 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-ethyl-3-(oxolan-3-yl)-1,2-dihydropyridin-2-yl]-N,N-dimethylpropan-2-amine is sourced from PubChem (CID 165400270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).