2-tert-butyl-6-methyl-2,3-dihydropyridine

C10H17N — CID 123464943

IUPAC2-tert-butyl-6-methyl-2,3-dihydropyridine
SMILESCC1=NC(C(C)(C)C)CC=C1
InChIInChI=1S/C10H17N/c1-8-6-5-7-9(11-8)10(2,3)4/h5-6,9H,7H2,1-4H3
InChIKeyVRTAZXQCLFXCBH-UHFFFAOYSA-N
MW151.25 g/mol
LogP2.82
Rot. Bonds

About 2-tert-butyl-6-methyl-2,3-dihydropyridine

2-tert-butyl-6-methyl-2,3-dihydropyridine (PubChem CID 123464943) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is 2-tert-butyl-6-methyl-2,3-dihydropyridine.

Molecular Properties

Compound Name2-tert-butyl-6-methyl-2,3-dihydropyridine
PubChem CID123464943
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name2-tert-butyl-6-methyl-2,3-dihydropyridine
SMILESCC1=NC(C(C)(C)C)CC=C1
InChIInChI=1S/C10H17N/c1-8-6-5-7-9(11-8)10(2,3)4/h5-6,9H,7H2,1-4H3
InChIKeyVRTAZXQCLFXCBH-UHFFFAOYSA-N
XLogP2.82
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-methyl-2,3-dihydropyridine?
The IUPAC name of 2-tert-butyl-6-methyl-2,3-dihydropyridine (CID 123464943) is 2-tert-butyl-6-methyl-2,3-dihydropyridine.
What is the SMILES notation for 2-tert-butyl-6-methyl-2,3-dihydropyridine?
The canonical SMILES for 2-tert-butyl-6-methyl-2,3-dihydropyridine is CC1=NC(C(C)(C)C)CC=C1.
What is the InChIKey of 2-tert-butyl-6-methyl-2,3-dihydropyridine?
The InChIKey is VRTAZXQCLFXCBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N/c1-8-6-5-7-9(11-8)10(2,3)4/h5-6,9H,7H2,1-4H3.
What are the key properties of 2-tert-butyl-6-methyl-2,3-dihydropyridine?
2-tert-butyl-6-methyl-2,3-dihydropyridine has a molecular weight of 151.25 g/mol, XLogP of 2.82, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-methyl-2,3-dihydropyridine is sourced from PubChem (CID 123464943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).