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

C14H25N — CID 58459653

IUPAC5,6-ditert-butyl-2-methylidene-3,4-dihydro-1H-pyridine
SMILESC=C1CCC(C(C)(C)C)=C(C(C)(C)C)N1
InChIInChI=1S/C14H25N/c1-10-8-9-11(13(2,3)4)12(15-10)14(5,6)7/h15H,1,8-9H2,2-7H3
InChIKeyBTSWLVMIEAOGRF-UHFFFAOYSA-N
MW207.36 g/mol
LogP4.23
Rot. Bonds

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

5,6-ditert-butyl-2-methylidene-3,4-dihydro-1H-pyridine (PubChem CID 58459653) has the molecular formula C14H25N and a molecular weight of 207.36 g/mol. Its IUPAC name is 5,6-ditert-butyl-2-methylidene-3,4-dihydro-1H-pyridine.

Molecular Properties

Compound Name5,6-ditert-butyl-2-methylidene-3,4-dihydro-1H-pyridine
PubChem CID58459653
Molecular FormulaC14H25N
Molecular Weight207.36 g/mol
Exact Mass207.20
IUPAC Name5,6-ditert-butyl-2-methylidene-3,4-dihydro-1H-pyridine
SMILESC=C1CCC(C(C)(C)C)=C(C(C)(C)C)N1
InChIInChI=1S/C14H25N/c1-10-8-9-11(13(2,3)4)12(15-10)14(5,6)7/h15H,1,8-9H2,2-7H3
InChIKeyBTSWLVMIEAOGRF-UHFFFAOYSA-N
XLogP4.23
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.36
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5,6-ditert-butyl-2-methylidene-3,4-dihydro-1H-pyridine?
The IUPAC name of 5,6-ditert-butyl-2-methylidene-3,4-dihydro-1H-pyridine (CID 58459653) is 5,6-ditert-butyl-2-methylidene-3,4-dihydro-1H-pyridine.
What is the SMILES notation for 5,6-ditert-butyl-2-methylidene-3,4-dihydro-1H-pyridine?
The canonical SMILES for 5,6-ditert-butyl-2-methylidene-3,4-dihydro-1H-pyridine is C=C1CCC(C(C)(C)C)=C(C(C)(C)C)N1.
What is the InChIKey of 5,6-ditert-butyl-2-methylidene-3,4-dihydro-1H-pyridine?
The InChIKey is BTSWLVMIEAOGRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N/c1-10-8-9-11(13(2,3)4)12(15-10)14(5,6)7/h15H,1,8-9H2,2-7H3.
What are the key properties of 5,6-ditert-butyl-2-methylidene-3,4-dihydro-1H-pyridine?
5,6-ditert-butyl-2-methylidene-3,4-dihydro-1H-pyridine has a molecular weight of 207.36 g/mol, XLogP of 4.23, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-ditert-butyl-2-methylidene-3,4-dihydro-1H-pyridine is sourced from PubChem (CID 58459653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).