5-tert-butyl-6-propan-2-yl-2,3-dihydropyridine

C12H21N — CID 130439270

IUPAC5-tert-butyl-6-propan-2-yl-2,3-dihydropyridine
SMILESCC(C)C1=NCCC=C1C(C)(C)C
InChIInChI=1S/C12H21N/c1-9(2)11-10(12(3,4)5)7-6-8-13-11/h7,9H,6,8H2,1-5H3
InChIKeyGXWABWRPZNUATG-UHFFFAOYSA-N
MW179.31 g/mol
LogP3.46
Rot. Bonds1

About 5-tert-butyl-6-propan-2-yl-2,3-dihydropyridine

5-tert-butyl-6-propan-2-yl-2,3-dihydropyridine (PubChem CID 130439270) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is 5-tert-butyl-6-propan-2-yl-2,3-dihydropyridine.

Molecular Properties

Compound Name5-tert-butyl-6-propan-2-yl-2,3-dihydropyridine
PubChem CID130439270
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC Name5-tert-butyl-6-propan-2-yl-2,3-dihydropyridine
SMILESCC(C)C1=NCCC=C1C(C)(C)C
InChIInChI=1S/C12H21N/c1-9(2)11-10(12(3,4)5)7-6-8-13-11/h7,9H,6,8H2,1-5H3
InChIKeyGXWABWRPZNUATG-UHFFFAOYSA-N
XLogP3.46
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-6-propan-2-yl-2,3-dihydropyridine?
The IUPAC name of 5-tert-butyl-6-propan-2-yl-2,3-dihydropyridine (CID 130439270) is 5-tert-butyl-6-propan-2-yl-2,3-dihydropyridine.
What is the SMILES notation for 5-tert-butyl-6-propan-2-yl-2,3-dihydropyridine?
The canonical SMILES for 5-tert-butyl-6-propan-2-yl-2,3-dihydropyridine is CC(C)C1=NCCC=C1C(C)(C)C.
What is the InChIKey of 5-tert-butyl-6-propan-2-yl-2,3-dihydropyridine?
The InChIKey is GXWABWRPZNUATG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N/c1-9(2)11-10(12(3,4)5)7-6-8-13-11/h7,9H,6,8H2,1-5H3.
What are the key properties of 5-tert-butyl-6-propan-2-yl-2,3-dihydropyridine?
5-tert-butyl-6-propan-2-yl-2,3-dihydropyridine has a molecular weight of 179.31 g/mol, XLogP of 3.46, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-6-propan-2-yl-2,3-dihydropyridine is sourced from PubChem (CID 130439270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).