1-[4,4-dimethyl-1-(2-methylpropyl)-2,3-dihydropyridin-5-yl]propan-1-one

C14H25NO — CID 19043489

IUPAC1-[4,4-dimethyl-1-(2-methylpropyl)-2,3-dihydropyridin-5-yl]propan-1-one
SMILESCCC(=O)C1=CN(CC(C)C)CCC1(C)C
InChIInChI=1S/C14H25NO/c1-6-13(16)12-10-15(9-11(2)3)8-7-14(12,4)5/h10-11H,6-9H2,1-5H3
InChIKeyGRJNSKBPLDPSQZ-UHFFFAOYSA-N
MW223.36 g/mol
LogP3.24
Rot. Bonds4

About 1-[4,4-dimethyl-1-(2-methylpropyl)-2,3-dihydropyridin-5-yl]propan-1-one

1-[4,4-dimethyl-1-(2-methylpropyl)-2,3-dihydropyridin-5-yl]propan-1-one (PubChem CID 19043489) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is 1-[4,4-dimethyl-1-(2-methylpropyl)-2,3-dihydropyridin-5-yl]propan-1-one.

Molecular Properties

Compound Name1-[4,4-dimethyl-1-(2-methylpropyl)-2,3-dihydropyridin-5-yl]propan-1-one
PubChem CID19043489
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name1-[4,4-dimethyl-1-(2-methylpropyl)-2,3-dihydropyridin-5-yl]propan-1-one
SMILESCCC(=O)C1=CN(CC(C)C)CCC1(C)C
InChIInChI=1S/C14H25NO/c1-6-13(16)12-10-15(9-11(2)3)8-7-14(12,4)5/h10-11H,6-9H2,1-5H3
InChIKeyGRJNSKBPLDPSQZ-UHFFFAOYSA-N
XLogP3.24
TPSA20.31 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 ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4,4-dimethyl-1-(2-methylpropyl)-2,3-dihydropyridin-5-yl]propan-1-one?
The IUPAC name of 1-[4,4-dimethyl-1-(2-methylpropyl)-2,3-dihydropyridin-5-yl]propan-1-one (CID 19043489) is 1-[4,4-dimethyl-1-(2-methylpropyl)-2,3-dihydropyridin-5-yl]propan-1-one.
What is the SMILES notation for 1-[4,4-dimethyl-1-(2-methylpropyl)-2,3-dihydropyridin-5-yl]propan-1-one?
The canonical SMILES for 1-[4,4-dimethyl-1-(2-methylpropyl)-2,3-dihydropyridin-5-yl]propan-1-one is CCC(=O)C1=CN(CC(C)C)CCC1(C)C.
What is the InChIKey of 1-[4,4-dimethyl-1-(2-methylpropyl)-2,3-dihydropyridin-5-yl]propan-1-one?
The InChIKey is GRJNSKBPLDPSQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-6-13(16)12-10-15(9-11(2)3)8-7-14(12,4)5/h10-11H,6-9H2,1-5H3.
What are the key properties of 1-[4,4-dimethyl-1-(2-methylpropyl)-2,3-dihydropyridin-5-yl]propan-1-one?
1-[4,4-dimethyl-1-(2-methylpropyl)-2,3-dihydropyridin-5-yl]propan-1-one has a molecular weight of 223.36 g/mol, XLogP of 3.24, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4,4-dimethyl-1-(2-methylpropyl)-2,3-dihydropyridin-5-yl]propan-1-one is sourced from PubChem (CID 19043489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).