5,6-ditert-butyl-1,3-dimethyl-3,4-dihydro-2H-pyridine

C15H29N — CID 23402532

IUPAC5,6-ditert-butyl-1,3-dimethyl-3,4-dihydro-2H-pyridine
SMILESCC1CC(C(C)(C)C)=C(C(C)(C)C)N(C)C1
InChIInChI=1S/C15H29N/c1-11-9-12(14(2,3)4)13(15(5,6)7)16(8)10-11/h11H,9-10H2,1-8H3
InChIKeyHIEVTIZDLFOANS-UHFFFAOYSA-N
MW223.40 g/mol
LogP4.30
Rot. Bonds

About 5,6-ditert-butyl-1,3-dimethyl-3,4-dihydro-2H-pyridine

5,6-ditert-butyl-1,3-dimethyl-3,4-dihydro-2H-pyridine (PubChem CID 23402532) has the molecular formula C15H29N and a molecular weight of 223.40 g/mol. Its IUPAC name is 5,6-ditert-butyl-1,3-dimethyl-3,4-dihydro-2H-pyridine.

Molecular Properties

Compound Name5,6-ditert-butyl-1,3-dimethyl-3,4-dihydro-2H-pyridine
PubChem CID23402532
Molecular FormulaC15H29N
Molecular Weight223.40 g/mol
Exact Mass223.23
IUPAC Name5,6-ditert-butyl-1,3-dimethyl-3,4-dihydro-2H-pyridine
SMILESCC1CC(C(C)(C)C)=C(C(C)(C)C)N(C)C1
InChIInChI=1S/C15H29N/c1-11-9-12(14(2,3)4)13(15(5,6)7)16(8)10-11/h11H,9-10H2,1-8H3
InChIKeyHIEVTIZDLFOANS-UHFFFAOYSA-N
XLogP4.30
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.40
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5,6-ditert-butyl-1,3-dimethyl-3,4-dihydro-2H-pyridine?
The IUPAC name of 5,6-ditert-butyl-1,3-dimethyl-3,4-dihydro-2H-pyridine (CID 23402532) is 5,6-ditert-butyl-1,3-dimethyl-3,4-dihydro-2H-pyridine.
What is the SMILES notation for 5,6-ditert-butyl-1,3-dimethyl-3,4-dihydro-2H-pyridine?
The canonical SMILES for 5,6-ditert-butyl-1,3-dimethyl-3,4-dihydro-2H-pyridine is CC1CC(C(C)(C)C)=C(C(C)(C)C)N(C)C1.
What is the InChIKey of 5,6-ditert-butyl-1,3-dimethyl-3,4-dihydro-2H-pyridine?
The InChIKey is HIEVTIZDLFOANS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N/c1-11-9-12(14(2,3)4)13(15(5,6)7)16(8)10-11/h11H,9-10H2,1-8H3.
What are the key properties of 5,6-ditert-butyl-1,3-dimethyl-3,4-dihydro-2H-pyridine?
5,6-ditert-butyl-1,3-dimethyl-3,4-dihydro-2H-pyridine has a molecular weight of 223.40 g/mol, XLogP of 4.30, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-ditert-butyl-1,3-dimethyl-3,4-dihydro-2H-pyridine is sourced from PubChem (CID 23402532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).