2,2-dimethylpropane;2-methylpyridine

C11H19N — CID 159740552

IUPAC2,2-dimethylpropane;2-methylpyridine
SMILESCC(C)(C)C.Cc1ccccn1
InChIInChI=1S/C6H7N.C5H12/c1-6-4-2-3-5-7-6;1-5(2,3)4/h2-5H,1H3;1-4H3
InChIKeyNCKCBOHCQZRPLM-UHFFFAOYSA-N
MW165.28 g/mol
LogP3.44
Rot. Bonds

About 2,2-dimethylpropane;2-methylpyridine

2,2-dimethylpropane;2-methylpyridine (PubChem CID 159740552) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is 2,2-dimethylpropane;2-methylpyridine.

Molecular Properties

Compound Name2,2-dimethylpropane;2-methylpyridine
PubChem CID159740552
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name2,2-dimethylpropane;2-methylpyridine
SMILESCC(C)(C)C.Cc1ccccn1
InChIInChI=1S/C6H7N.C5H12/c1-6-4-2-3-5-7-6;1-5(2,3)4/h2-5H,1H3;1-4H3
InChIKeyNCKCBOHCQZRPLM-UHFFFAOYSA-N
XLogP3.44
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylpropane;2-methylpyridine?
The IUPAC name of 2,2-dimethylpropane;2-methylpyridine (CID 159740552) is 2,2-dimethylpropane;2-methylpyridine.
What is the SMILES notation for 2,2-dimethylpropane;2-methylpyridine?
The canonical SMILES for 2,2-dimethylpropane;2-methylpyridine is CC(C)(C)C.Cc1ccccn1.
What is the InChIKey of 2,2-dimethylpropane;2-methylpyridine?
The InChIKey is NCKCBOHCQZRPLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N.C5H12/c1-6-4-2-3-5-7-6;1-5(2,3)4/h2-5H,1H3;1-4H3.
What are the key properties of 2,2-dimethylpropane;2-methylpyridine?
2,2-dimethylpropane;2-methylpyridine has a molecular weight of 165.28 g/mol, XLogP of 3.44, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylpropane;2-methylpyridine is sourced from PubChem (CID 159740552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).