1-cyclohexyl-6-propan-2-yl-3-[(propan-2-ylamino)methyl]pyridin-2-one

C18H30N2O — CID 82524126

IUPAC1-cyclohexyl-6-propan-2-yl-3-[(propan-2-ylamino)methyl]pyridin-2-one
SMILESCC(C)NCc1ccc(C(C)C)n(C2CCCCC2)c1=O
InChIInChI=1S/C18H30N2O/c1-13(2)17-11-10-15(12-19-14(3)4)18(21)20(17)16-8-6-5-7-9-16/h10-11,13-14,16,19H,5-9,12H2,1-4H3
InChIKeyGCYVUKUOOPWTOF-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.97
Rot. Bonds5

About 1-cyclohexyl-6-propan-2-yl-3-[(propan-2-ylamino)methyl]pyridin-2-one

1-cyclohexyl-6-propan-2-yl-3-[(propan-2-ylamino)methyl]pyridin-2-one (PubChem CID 82524126) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 1-cyclohexyl-6-propan-2-yl-3-[(propan-2-ylamino)methyl]pyridin-2-one.

Molecular Properties

Compound Name1-cyclohexyl-6-propan-2-yl-3-[(propan-2-ylamino)methyl]pyridin-2-one
PubChem CID82524126
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name1-cyclohexyl-6-propan-2-yl-3-[(propan-2-ylamino)methyl]pyridin-2-one
SMILESCC(C)NCc1ccc(C(C)C)n(C2CCCCC2)c1=O
InChIInChI=1S/C18H30N2O/c1-13(2)17-11-10-15(12-19-14(3)4)18(21)20(17)16-8-6-5-7-9-16/h10-11,13-14,16,19H,5-9,12H2,1-4H3
InChIKeyGCYVUKUOOPWTOF-UHFFFAOYSA-N
XLogP3.97
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-6-propan-2-yl-3-[(propan-2-ylamino)methyl]pyridin-2-one?
The IUPAC name of 1-cyclohexyl-6-propan-2-yl-3-[(propan-2-ylamino)methyl]pyridin-2-one (CID 82524126) is 1-cyclohexyl-6-propan-2-yl-3-[(propan-2-ylamino)methyl]pyridin-2-one.
What is the SMILES notation for 1-cyclohexyl-6-propan-2-yl-3-[(propan-2-ylamino)methyl]pyridin-2-one?
The canonical SMILES for 1-cyclohexyl-6-propan-2-yl-3-[(propan-2-ylamino)methyl]pyridin-2-one is CC(C)NCc1ccc(C(C)C)n(C2CCCCC2)c1=O.
What is the InChIKey of 1-cyclohexyl-6-propan-2-yl-3-[(propan-2-ylamino)methyl]pyridin-2-one?
The InChIKey is GCYVUKUOOPWTOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-13(2)17-11-10-15(12-19-14(3)4)18(21)20(17)16-8-6-5-7-9-16/h10-11,13-14,16,19H,5-9,12H2,1-4H3.
What are the key properties of 1-cyclohexyl-6-propan-2-yl-3-[(propan-2-ylamino)methyl]pyridin-2-one?
1-cyclohexyl-6-propan-2-yl-3-[(propan-2-ylamino)methyl]pyridin-2-one has a molecular weight of 290.45 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-6-propan-2-yl-3-[(propan-2-ylamino)methyl]pyridin-2-one is sourced from PubChem (CID 82524126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).