2,3-ditert-butyl-1-methyl-5-propyl-3,4-dihydro-2H-pyridine

C17H33N — CID 59036723

IUPAC2,3-ditert-butyl-1-methyl-5-propyl-3,4-dihydro-2H-pyridine
SMILESCCCC1=CN(C)C(C(C)(C)C)C(C(C)(C)C)C1
InChIInChI=1S/C17H33N/c1-9-10-13-11-14(16(2,3)4)15(17(5,6)7)18(8)12-13/h12,14-15H,9-11H2,1-8H3
InChIKeyRRDQYHNFECZCGZ-UHFFFAOYSA-N
MW251.46 g/mol
LogP5.08
Rot. Bonds2

About 2,3-ditert-butyl-1-methyl-5-propyl-3,4-dihydro-2H-pyridine

2,3-ditert-butyl-1-methyl-5-propyl-3,4-dihydro-2H-pyridine (PubChem CID 59036723) has the molecular formula C17H33N and a molecular weight of 251.46 g/mol. Its IUPAC name is 2,3-ditert-butyl-1-methyl-5-propyl-3,4-dihydro-2H-pyridine.

Molecular Properties

Compound Name2,3-ditert-butyl-1-methyl-5-propyl-3,4-dihydro-2H-pyridine
PubChem CID59036723
Molecular FormulaC17H33N
Molecular Weight251.46 g/mol
Exact Mass251.26
IUPAC Name2,3-ditert-butyl-1-methyl-5-propyl-3,4-dihydro-2H-pyridine
SMILESCCCC1=CN(C)C(C(C)(C)C)C(C(C)(C)C)C1
InChIInChI=1S/C17H33N/c1-9-10-13-11-14(16(2,3)4)15(17(5,6)7)18(8)12-13/h12,14-15H,9-11H2,1-8H3
InChIKeyRRDQYHNFECZCGZ-UHFFFAOYSA-N
XLogP5.08
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500251.46
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3-ditert-butyl-1-methyl-5-propyl-3,4-dihydro-2H-pyridine?
The IUPAC name of 2,3-ditert-butyl-1-methyl-5-propyl-3,4-dihydro-2H-pyridine (CID 59036723) is 2,3-ditert-butyl-1-methyl-5-propyl-3,4-dihydro-2H-pyridine.
What is the SMILES notation for 2,3-ditert-butyl-1-methyl-5-propyl-3,4-dihydro-2H-pyridine?
The canonical SMILES for 2,3-ditert-butyl-1-methyl-5-propyl-3,4-dihydro-2H-pyridine is CCCC1=CN(C)C(C(C)(C)C)C(C(C)(C)C)C1.
What is the InChIKey of 2,3-ditert-butyl-1-methyl-5-propyl-3,4-dihydro-2H-pyridine?
The InChIKey is RRDQYHNFECZCGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N/c1-9-10-13-11-14(16(2,3)4)15(17(5,6)7)18(8)12-13/h12,14-15H,9-11H2,1-8H3.
What are the key properties of 2,3-ditert-butyl-1-methyl-5-propyl-3,4-dihydro-2H-pyridine?
2,3-ditert-butyl-1-methyl-5-propyl-3,4-dihydro-2H-pyridine has a molecular weight of 251.46 g/mol, XLogP of 5.08, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-ditert-butyl-1-methyl-5-propyl-3,4-dihydro-2H-pyridine is sourced from PubChem (CID 59036723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).