3,3,5,5,6-pentamethyl-2,4-dihydropyridine

C10H19N — CID 20572047

IUPAC3,3,5,5,6-pentamethyl-2,4-dihydropyridine
SMILESCC1=NCC(C)(C)CC1(C)C
InChIInChI=1S/C10H19N/c1-8-10(4,5)6-9(2,3)7-11-8/h6-7H2,1-5H3
InChIKeyGPLSZSVHADMLKP-UHFFFAOYSA-N
MW153.27 g/mol
LogP2.90
Rot. Bonds

About 3,3,5,5,6-pentamethyl-2,4-dihydropyridine

3,3,5,5,6-pentamethyl-2,4-dihydropyridine (PubChem CID 20572047) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is 3,3,5,5,6-pentamethyl-2,4-dihydropyridine.

Molecular Properties

Compound Name3,3,5,5,6-pentamethyl-2,4-dihydropyridine
PubChem CID20572047
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC Name3,3,5,5,6-pentamethyl-2,4-dihydropyridine
SMILESCC1=NCC(C)(C)CC1(C)C
InChIInChI=1S/C10H19N/c1-8-10(4,5)6-9(2,3)7-11-8/h6-7H2,1-5H3
InChIKeyGPLSZSVHADMLKP-UHFFFAOYSA-N
XLogP2.90
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,3,5,5,6-pentamethyl-2,4-dihydropyridine?
The IUPAC name of 3,3,5,5,6-pentamethyl-2,4-dihydropyridine (CID 20572047) is 3,3,5,5,6-pentamethyl-2,4-dihydropyridine.
What is the SMILES notation for 3,3,5,5,6-pentamethyl-2,4-dihydropyridine?
The canonical SMILES for 3,3,5,5,6-pentamethyl-2,4-dihydropyridine is CC1=NCC(C)(C)CC1(C)C.
What is the InChIKey of 3,3,5,5,6-pentamethyl-2,4-dihydropyridine?
The InChIKey is GPLSZSVHADMLKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N/c1-8-10(4,5)6-9(2,3)7-11-8/h6-7H2,1-5H3.
What are the key properties of 3,3,5,5,6-pentamethyl-2,4-dihydropyridine?
3,3,5,5,6-pentamethyl-2,4-dihydropyridine has a molecular weight of 153.27 g/mol, XLogP of 2.90, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,5,5,6-pentamethyl-2,4-dihydropyridine is sourced from PubChem (CID 20572047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).