1-[(6R)-6-cyclohexyl-3,6-dihydro-2H-pyridin-1-yl]-2,2-dimethylbutan-1-one

C17H29NO — CID 121446441

IUPAC1-[(6R)-6-cyclohexyl-3,6-dihydro-2H-pyridin-1-yl]-2,2-dimethylbutan-1-one
SMILESCCC(C)(C)C(=O)N1CCC=C[C@H]1C1CCCCC1
InChIInChI=1S/C17H29NO/c1-4-17(2,3)16(19)18-13-9-8-12-15(18)14-10-6-5-7-11-14/h8,12,14-15H,4-7,9-11,13H2,1-3H3/t15-/m0/s1
InChIKeyLGFOHPVBNWWTGS-HNNXBMFYSA-N
MW263.43 g/mol
LogP4.16
Rot. Bonds3

About 1-[(6R)-6-cyclohexyl-3,6-dihydro-2H-pyridin-1-yl]-2,2-dimethylbutan-1-one

1-[(6R)-6-cyclohexyl-3,6-dihydro-2H-pyridin-1-yl]-2,2-dimethylbutan-1-one (PubChem CID 121446441) has the molecular formula C17H29NO and a molecular weight of 263.43 g/mol. Its IUPAC name is 1-[(6R)-6-cyclohexyl-3,6-dihydro-2H-pyridin-1-yl]-2,2-dimethylbutan-1-one.

Molecular Properties

Compound Name1-[(6R)-6-cyclohexyl-3,6-dihydro-2H-pyridin-1-yl]-2,2-dimethylbutan-1-one
PubChem CID121446441
Molecular FormulaC17H29NO
Molecular Weight263.43 g/mol
Exact Mass263.22
IUPAC Name1-[(6R)-6-cyclohexyl-3,6-dihydro-2H-pyridin-1-yl]-2,2-dimethylbutan-1-one
SMILESCCC(C)(C)C(=O)N1CCC=C[C@H]1C1CCCCC1
InChIInChI=1S/C17H29NO/c1-4-17(2,3)16(19)18-13-9-8-12-15(18)14-10-6-5-7-11-14/h8,12,14-15H,4-7,9-11,13H2,1-3H3/t15-/m0/s1
InChIKeyLGFOHPVBNWWTGS-HNNXBMFYSA-N
XLogP4.16
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(6R)-6-cyclohexyl-3,6-dihydro-2H-pyridin-1-yl]-2,2-dimethylbutan-1-one?
The IUPAC name of 1-[(6R)-6-cyclohexyl-3,6-dihydro-2H-pyridin-1-yl]-2,2-dimethylbutan-1-one (CID 121446441) is 1-[(6R)-6-cyclohexyl-3,6-dihydro-2H-pyridin-1-yl]-2,2-dimethylbutan-1-one.
What is the SMILES notation for 1-[(6R)-6-cyclohexyl-3,6-dihydro-2H-pyridin-1-yl]-2,2-dimethylbutan-1-one?
The canonical SMILES for 1-[(6R)-6-cyclohexyl-3,6-dihydro-2H-pyridin-1-yl]-2,2-dimethylbutan-1-one is CCC(C)(C)C(=O)N1CCC=C[C@H]1C1CCCCC1.
What is the InChIKey of 1-[(6R)-6-cyclohexyl-3,6-dihydro-2H-pyridin-1-yl]-2,2-dimethylbutan-1-one?
The InChIKey is LGFOHPVBNWWTGS-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H29NO/c1-4-17(2,3)16(19)18-13-9-8-12-15(18)14-10-6-5-7-11-14/h8,12,14-15H,4-7,9-11,13H2,1-3H3/t15-/m0/s1.
What are the key properties of 1-[(6R)-6-cyclohexyl-3,6-dihydro-2H-pyridin-1-yl]-2,2-dimethylbutan-1-one?
1-[(6R)-6-cyclohexyl-3,6-dihydro-2H-pyridin-1-yl]-2,2-dimethylbutan-1-one has a molecular weight of 263.43 g/mol, XLogP of 4.16, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6R)-6-cyclohexyl-3,6-dihydro-2H-pyridin-1-yl]-2,2-dimethylbutan-1-one is sourced from PubChem (CID 121446441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).