1-[2-[(3,4-dimethylcyclohexyl)amino]ethyl]pyridin-2-one

C15H24N2O — CID 82898063

IUPAC1-[2-[(3,4-dimethylcyclohexyl)amino]ethyl]pyridin-2-one
SMILESCC1CCC(NCCn2ccccc2=O)CC1C
InChIInChI=1S/C15H24N2O/c1-12-6-7-14(11-13(12)2)16-8-10-17-9-4-3-5-15(17)18/h3-5,9,12-14,16H,6-8,10-11H2,1-2H3
InChIKeyZAYJFFJCWKUUGQ-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.26
Rot. Bonds4

About 1-[2-[(3,4-dimethylcyclohexyl)amino]ethyl]pyridin-2-one

1-[2-[(3,4-dimethylcyclohexyl)amino]ethyl]pyridin-2-one (PubChem CID 82898063) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-[2-[(3,4-dimethylcyclohexyl)amino]ethyl]pyridin-2-one.

Molecular Properties

Compound Name1-[2-[(3,4-dimethylcyclohexyl)amino]ethyl]pyridin-2-one
PubChem CID82898063
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name1-[2-[(3,4-dimethylcyclohexyl)amino]ethyl]pyridin-2-one
SMILESCC1CCC(NCCn2ccccc2=O)CC1C
InChIInChI=1S/C15H24N2O/c1-12-6-7-14(11-13(12)2)16-8-10-17-9-4-3-5-15(17)18/h3-5,9,12-14,16H,6-8,10-11H2,1-2H3
InChIKeyZAYJFFJCWKUUGQ-UHFFFAOYSA-N
XLogP2.26
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3,4-dimethylcyclohexyl)amino]ethyl]pyridin-2-one?
The IUPAC name of 1-[2-[(3,4-dimethylcyclohexyl)amino]ethyl]pyridin-2-one (CID 82898063) is 1-[2-[(3,4-dimethylcyclohexyl)amino]ethyl]pyridin-2-one.
What is the SMILES notation for 1-[2-[(3,4-dimethylcyclohexyl)amino]ethyl]pyridin-2-one?
The canonical SMILES for 1-[2-[(3,4-dimethylcyclohexyl)amino]ethyl]pyridin-2-one is CC1CCC(NCCn2ccccc2=O)CC1C.
What is the InChIKey of 1-[2-[(3,4-dimethylcyclohexyl)amino]ethyl]pyridin-2-one?
The InChIKey is ZAYJFFJCWKUUGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-12-6-7-14(11-13(12)2)16-8-10-17-9-4-3-5-15(17)18/h3-5,9,12-14,16H,6-8,10-11H2,1-2H3.
What are the key properties of 1-[2-[(3,4-dimethylcyclohexyl)amino]ethyl]pyridin-2-one?
1-[2-[(3,4-dimethylcyclohexyl)amino]ethyl]pyridin-2-one has a molecular weight of 248.37 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3,4-dimethylcyclohexyl)amino]ethyl]pyridin-2-one is sourced from PubChem (CID 82898063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).