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

C16H27NO — CID 121450226

IUPAC(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-(3,3-dimethylcyclobutyl)methanone
SMILESCC1(C)CC(C(=O)N2CC=C(C(C)(C)C)CC2)C1
InChIInChI=1S/C16H27NO/c1-15(2,3)13-6-8-17(9-7-13)14(18)12-10-16(4,5)11-12/h6,12H,7-11H2,1-5H3
InChIKeyFAVMTQLSYXVDCX-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.63
Rot. Bonds1

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

(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-(3,3-dimethylcyclobutyl)methanone (PubChem CID 121450226) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is (4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-(3,3-dimethylcyclobutyl)methanone.

Molecular Properties

Compound Name(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-(3,3-dimethylcyclobutyl)methanone
PubChem CID121450226
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-(3,3-dimethylcyclobutyl)methanone
SMILESCC1(C)CC(C(=O)N2CC=C(C(C)(C)C)CC2)C1
InChIInChI=1S/C16H27NO/c1-15(2,3)13-6-8-17(9-7-13)14(18)12-10-16(4,5)11-12/h6,12H,7-11H2,1-5H3
InChIKeyFAVMTQLSYXVDCX-UHFFFAOYSA-N
XLogP3.63
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.63
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)-(3,3-dimethylcyclobutyl)methanone?
The IUPAC name of (4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-(3,3-dimethylcyclobutyl)methanone (CID 121450226) is (4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-(3,3-dimethylcyclobutyl)methanone.
What is the SMILES notation for (4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-(3,3-dimethylcyclobutyl)methanone?
The canonical SMILES for (4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-(3,3-dimethylcyclobutyl)methanone is CC1(C)CC(C(=O)N2CC=C(C(C)(C)C)CC2)C1.
What is the InChIKey of (4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-(3,3-dimethylcyclobutyl)methanone?
The InChIKey is FAVMTQLSYXVDCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-15(2,3)13-6-8-17(9-7-13)14(18)12-10-16(4,5)11-12/h6,12H,7-11H2,1-5H3.
What are the key properties of (4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-(3,3-dimethylcyclobutyl)methanone?
(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-(3,3-dimethylcyclobutyl)methanone has a molecular weight of 249.40 g/mol, XLogP of 3.63, 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)-(3,3-dimethylcyclobutyl)methanone is sourced from PubChem (CID 121450226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).