(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-[4-(methylamino)oxolan-3-yl]methanone

C15H26N2O2 — CID 114459929

IUPAC(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-[4-(methylamino)oxolan-3-yl]methanone
SMILESCNC1COCC1C(=O)N1CC=C(C(C)(C)C)CC1
InChIInChI=1S/C15H26N2O2/c1-15(2,3)11-5-7-17(8-6-11)14(18)12-9-19-10-13(12)16-4/h5,12-13,16H,6-10H2,1-4H3
InChIKeyNMPQWOTTWKRPBN-UHFFFAOYSA-N
MW266.38 g/mol
LogP1.43
Rot. Bonds2

About (4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-[4-(methylamino)oxolan-3-yl]methanone

(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-[4-(methylamino)oxolan-3-yl]methanone (PubChem CID 114459929) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is (4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-[4-(methylamino)oxolan-3-yl]methanone.

Molecular Properties

Compound Name(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-[4-(methylamino)oxolan-3-yl]methanone
PubChem CID114459929
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-[4-(methylamino)oxolan-3-yl]methanone
SMILESCNC1COCC1C(=O)N1CC=C(C(C)(C)C)CC1
InChIInChI=1S/C15H26N2O2/c1-15(2,3)11-5-7-17(8-6-11)14(18)12-9-19-10-13(12)16-4/h5,12-13,16H,6-10H2,1-4H3
InChIKeyNMPQWOTTWKRPBN-UHFFFAOYSA-N
XLogP1.43
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(methylamino)oxolan-3-yl]methanone?
The IUPAC name of (4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-[4-(methylamino)oxolan-3-yl]methanone (CID 114459929) is (4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-[4-(methylamino)oxolan-3-yl]methanone.
What is the SMILES notation for (4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-[4-(methylamino)oxolan-3-yl]methanone?
The canonical SMILES for (4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-[4-(methylamino)oxolan-3-yl]methanone is CNC1COCC1C(=O)N1CC=C(C(C)(C)C)CC1.
What is the InChIKey of (4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-[4-(methylamino)oxolan-3-yl]methanone?
The InChIKey is NMPQWOTTWKRPBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-15(2,3)11-5-7-17(8-6-11)14(18)12-9-19-10-13(12)16-4/h5,12-13,16H,6-10H2,1-4H3.
What are the key properties of (4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-[4-(methylamino)oxolan-3-yl]methanone?
(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-[4-(methylamino)oxolan-3-yl]methanone has a molecular weight of 266.38 g/mol, XLogP of 1.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-[4-(methylamino)oxolan-3-yl]methanone is sourced from PubChem (CID 114459929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).