2,3,3,4,4,5,6-heptamethylpyridine

C12H21N — CID 58108493

IUPAC2,3,3,4,4,5,6-heptamethylpyridine
SMILESCC1=NC(C)=C(C)C(C)(C)C1(C)C
InChIInChI=1S/C12H21N/c1-8-9(2)13-10(3)12(6,7)11(8,4)5/h1-7H3
InChIKeyFADGCNONGPCIOH-UHFFFAOYSA-N
MW179.31 g/mol
LogP3.81
Rot. Bonds

About 2,3,3,4,4,5,6-heptamethylpyridine

2,3,3,4,4,5,6-heptamethylpyridine (PubChem CID 58108493) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is 2,3,3,4,4,5,6-heptamethylpyridine.

Molecular Properties

Compound Name2,3,3,4,4,5,6-heptamethylpyridine
PubChem CID58108493
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC Name2,3,3,4,4,5,6-heptamethylpyridine
SMILESCC1=NC(C)=C(C)C(C)(C)C1(C)C
InChIInChI=1S/C12H21N/c1-8-9(2)13-10(3)12(6,7)11(8,4)5/h1-7H3
InChIKeyFADGCNONGPCIOH-UHFFFAOYSA-N
XLogP3.81
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3,3,4,4,5,6-heptamethylpyridine?
The IUPAC name of 2,3,3,4,4,5,6-heptamethylpyridine (CID 58108493) is 2,3,3,4,4,5,6-heptamethylpyridine.
What is the SMILES notation for 2,3,3,4,4,5,6-heptamethylpyridine?
The canonical SMILES for 2,3,3,4,4,5,6-heptamethylpyridine is CC1=NC(C)=C(C)C(C)(C)C1(C)C.
What is the InChIKey of 2,3,3,4,4,5,6-heptamethylpyridine?
The InChIKey is FADGCNONGPCIOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N/c1-8-9(2)13-10(3)12(6,7)11(8,4)5/h1-7H3.
What are the key properties of 2,3,3,4,4,5,6-heptamethylpyridine?
2,3,3,4,4,5,6-heptamethylpyridine has a molecular weight of 179.31 g/mol, XLogP of 3.81, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3,4,4,5,6-heptamethylpyridine is sourced from PubChem (CID 58108493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).