(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-(4-methylcyclohexyl)methanone

C17H29NO — CID 134370446

IUPAC(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-(4-methylcyclohexyl)methanone
SMILESCC1CCC(C(=O)N2CC=C(C(C)(C)C)CC2)CC1
InChIInChI=1S/C17H29NO/c1-13-5-7-14(8-6-13)16(19)18-11-9-15(10-12-18)17(2,3)4/h9,13-14H,5-8,10-12H2,1-4H3
InChIKeyWKNLUOASKWBAFS-UHFFFAOYSA-N
MW263.42 g/mol
LogP4.02
Rot. Bonds1

About (4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-(4-methylcyclohexyl)methanone

(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-(4-methylcyclohexyl)methanone (PubChem CID 134370446) has the molecular formula C17H29NO and a molecular weight of 263.42 g/mol. Its IUPAC name is (4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-(4-methylcyclohexyl)methanone.

Molecular Properties

Compound Name(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-(4-methylcyclohexyl)methanone
PubChem CID134370446
Molecular FormulaC17H29NO
Molecular Weight263.42 g/mol
Exact Mass263.22
IUPAC Name(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-(4-methylcyclohexyl)methanone
SMILESCC1CCC(C(=O)N2CC=C(C(C)(C)C)CC2)CC1
InChIInChI=1S/C17H29NO/c1-13-5-7-14(8-6-13)16(19)18-11-9-15(10-12-18)17(2,3)4/h9,13-14H,5-8,10-12H2,1-4H3
InChIKeyWKNLUOASKWBAFS-UHFFFAOYSA-N
XLogP4.02
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.42
LogP ≤ 54.02
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 (4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-(4-methylcyclohexyl)methanone?
The IUPAC name of (4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-(4-methylcyclohexyl)methanone (CID 134370446) is (4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-(4-methylcyclohexyl)methanone.
What is the SMILES notation for (4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-(4-methylcyclohexyl)methanone?
The canonical SMILES for (4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-(4-methylcyclohexyl)methanone is CC1CCC(C(=O)N2CC=C(C(C)(C)C)CC2)CC1.
What is the InChIKey of (4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-(4-methylcyclohexyl)methanone?
The InChIKey is WKNLUOASKWBAFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-13-5-7-14(8-6-13)16(19)18-11-9-15(10-12-18)17(2,3)4/h9,13-14H,5-8,10-12H2,1-4H3.
What are the key properties of (4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-(4-methylcyclohexyl)methanone?
(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-(4-methylcyclohexyl)methanone has a molecular weight of 263.42 g/mol, XLogP of 4.02, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-(4-methylcyclohexyl)methanone is sourced from PubChem (CID 134370446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).