1-[6-methyl-1-(3-methylbutyl)-3,4-dihydro-2H-pyridin-5-yl]ethanone

C13H23NO — CID 18963388

IUPAC1-[6-methyl-1-(3-methylbutyl)-3,4-dihydro-2H-pyridin-5-yl]ethanone
SMILESCC(=O)C1=C(C)N(CCC(C)C)CCC1
InChIInChI=1S/C13H23NO/c1-10(2)7-9-14-8-5-6-13(11(14)3)12(4)15/h10H,5-9H2,1-4H3
InChIKeyCDWWHAXIRHDBIE-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.99
Rot. Bonds4

About 1-[6-methyl-1-(3-methylbutyl)-3,4-dihydro-2H-pyridin-5-yl]ethanone

1-[6-methyl-1-(3-methylbutyl)-3,4-dihydro-2H-pyridin-5-yl]ethanone (PubChem CID 18963388) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 1-[6-methyl-1-(3-methylbutyl)-3,4-dihydro-2H-pyridin-5-yl]ethanone.

Molecular Properties

Compound Name1-[6-methyl-1-(3-methylbutyl)-3,4-dihydro-2H-pyridin-5-yl]ethanone
PubChem CID18963388
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name1-[6-methyl-1-(3-methylbutyl)-3,4-dihydro-2H-pyridin-5-yl]ethanone
SMILESCC(=O)C1=C(C)N(CCC(C)C)CCC1
InChIInChI=1S/C13H23NO/c1-10(2)7-9-14-8-5-6-13(11(14)3)12(4)15/h10H,5-9H2,1-4H3
InChIKeyCDWWHAXIRHDBIE-UHFFFAOYSA-N
XLogP2.99
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[6-methyl-1-(3-methylbutyl)-3,4-dihydro-2H-pyridin-5-yl]ethanone?
The IUPAC name of 1-[6-methyl-1-(3-methylbutyl)-3,4-dihydro-2H-pyridin-5-yl]ethanone (CID 18963388) is 1-[6-methyl-1-(3-methylbutyl)-3,4-dihydro-2H-pyridin-5-yl]ethanone.
What is the SMILES notation for 1-[6-methyl-1-(3-methylbutyl)-3,4-dihydro-2H-pyridin-5-yl]ethanone?
The canonical SMILES for 1-[6-methyl-1-(3-methylbutyl)-3,4-dihydro-2H-pyridin-5-yl]ethanone is CC(=O)C1=C(C)N(CCC(C)C)CCC1.
What is the InChIKey of 1-[6-methyl-1-(3-methylbutyl)-3,4-dihydro-2H-pyridin-5-yl]ethanone?
The InChIKey is CDWWHAXIRHDBIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-10(2)7-9-14-8-5-6-13(11(14)3)12(4)15/h10H,5-9H2,1-4H3.
What are the key properties of 1-[6-methyl-1-(3-methylbutyl)-3,4-dihydro-2H-pyridin-5-yl]ethanone?
1-[6-methyl-1-(3-methylbutyl)-3,4-dihydro-2H-pyridin-5-yl]ethanone has a molecular weight of 209.33 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-methyl-1-(3-methylbutyl)-3,4-dihydro-2H-pyridin-5-yl]ethanone is sourced from PubChem (CID 18963388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).