1-(6-butyl-2,4,4-trimethyl-3,5-dihydro-2H-pyridin-5-yl)ethanone

C14H25NO — CID 54291385

IUPAC1-(6-butyl-2,4,4-trimethyl-3,5-dihydro-2H-pyridin-5-yl)ethanone
SMILESCCCCC1=NC(C)CC(C)(C)C1C(C)=O
InChIInChI=1S/C14H25NO/c1-6-7-8-12-13(11(3)16)14(4,5)9-10(2)15-12/h10,13H,6-9H2,1-5H3
InChIKeyRXTICFMDBBCTGD-UHFFFAOYSA-N
MW223.36 g/mol
LogP3.64
Rot. Bonds4

About 1-(6-butyl-2,4,4-trimethyl-3,5-dihydro-2H-pyridin-5-yl)ethanone

1-(6-butyl-2,4,4-trimethyl-3,5-dihydro-2H-pyridin-5-yl)ethanone (PubChem CID 54291385) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is 1-(6-butyl-2,4,4-trimethyl-3,5-dihydro-2H-pyridin-5-yl)ethanone.

Molecular Properties

Compound Name1-(6-butyl-2,4,4-trimethyl-3,5-dihydro-2H-pyridin-5-yl)ethanone
PubChem CID54291385
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name1-(6-butyl-2,4,4-trimethyl-3,5-dihydro-2H-pyridin-5-yl)ethanone
SMILESCCCCC1=NC(C)CC(C)(C)C1C(C)=O
InChIInChI=1S/C14H25NO/c1-6-7-8-12-13(11(3)16)14(4,5)9-10(2)15-12/h10,13H,6-9H2,1-5H3
InChIKeyRXTICFMDBBCTGD-UHFFFAOYSA-N
XLogP3.64
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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1-(4a-fluoro-4,5,6,7,8,8a-hexahydro-3H-isoquinolin-1-yl)-2,2-dimethylpropan-1-one
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7,7-Dimethyl-2,3,4,4a,6,8-hexahydroquinolin-5-one
CID 54017108
1-(4,4-dimethyl-3,5-dihydro-2H-pyridin-6-yl)propan-1-one
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CID 57088225
2,3-Ditert-butyl-5-propyl-2,3-dihydropyrrol-4-one
CID 59067701
2-Tert-butyl-3-propan-2-yl-5-propyl-2,3-dihydropyrrol-4-one
CID 59067739
(4R)-4-(3,4-dihydro-2H-pyrrol-5-ylmethyl)-2,5-dimethylhexan-3-one
CID 59615837
(4S)-4-(3,4-dihydro-2H-pyrrol-5-ylmethyl)-2,5-dimethylhexan-3-one
CID 59615868
3-Methyl-1-(2,3,4,5-tetrahydropyridin-6-yl)butan-1-one
CID 69098499
7-tert-butyl-1-(3,4-dihydro-2H-pyrrol-5-yl)-2-methyldecane-1,8-dione
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1-(3-Acetyl-2,6-dimethyl-2,3,4,5-tetrahydropyridin-5-yl)propan-1-one
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Frequently Asked Questions

What is the IUPAC name of 1-(6-butyl-2,4,4-trimethyl-3,5-dihydro-2H-pyridin-5-yl)ethanone?
The IUPAC name of 1-(6-butyl-2,4,4-trimethyl-3,5-dihydro-2H-pyridin-5-yl)ethanone (CID 54291385) is 1-(6-butyl-2,4,4-trimethyl-3,5-dihydro-2H-pyridin-5-yl)ethanone.
What is the SMILES notation for 1-(6-butyl-2,4,4-trimethyl-3,5-dihydro-2H-pyridin-5-yl)ethanone?
The canonical SMILES for 1-(6-butyl-2,4,4-trimethyl-3,5-dihydro-2H-pyridin-5-yl)ethanone is CCCCC1=NC(C)CC(C)(C)C1C(C)=O.
What is the InChIKey of 1-(6-butyl-2,4,4-trimethyl-3,5-dihydro-2H-pyridin-5-yl)ethanone?
The InChIKey is RXTICFMDBBCTGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-6-7-8-12-13(11(3)16)14(4,5)9-10(2)15-12/h10,13H,6-9H2,1-5H3.
What are the key properties of 1-(6-butyl-2,4,4-trimethyl-3,5-dihydro-2H-pyridin-5-yl)ethanone?
1-(6-butyl-2,4,4-trimethyl-3,5-dihydro-2H-pyridin-5-yl)ethanone has a molecular weight of 223.36 g/mol, XLogP of 3.64, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-butyl-2,4,4-trimethyl-3,5-dihydro-2H-pyridin-5-yl)ethanone is sourced from PubChem (CID 54291385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).