3-tert-butyl-2-methylpyridine;ethane

C12H21N — CID 90980079

IUPAC3-tert-butyl-2-methylpyridine;ethane
SMILESCC.Cc1ncccc1C(C)(C)C
InChIInChI=1S/C10H15N.C2H6/c1-8-9(10(2,3)4)6-5-7-11-8;1-2/h5-7H,1-4H3;1-2H3
InChIKeyHQYAVRJXLCDGGM-UHFFFAOYSA-N
MW179.31 g/mol
LogP3.71
Rot. Bonds

About 3-tert-butyl-2-methylpyridine;ethane

3-tert-butyl-2-methylpyridine;ethane (PubChem CID 90980079) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is 3-tert-butyl-2-methylpyridine;ethane.

Molecular Properties

Compound Name3-tert-butyl-2-methylpyridine;ethane
PubChem CID90980079
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC Name3-tert-butyl-2-methylpyridine;ethane
SMILESCC.Cc1ncccc1C(C)(C)C
InChIInChI=1S/C10H15N.C2H6/c1-8-9(10(2,3)4)6-5-7-11-8;1-2/h5-7H,1-4H3;1-2H3
InChIKeyHQYAVRJXLCDGGM-UHFFFAOYSA-N
XLogP3.71
TPSA12.89 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 ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-methyl-3-pyridinyl)propan-2-ol
CID 45091732
2-methyl-3-(trifluoromethyl)pyridine
CID 14761443
2-tert-butyl-3-methylpyridine;3-tert-butyl-2-methylpyridine;5-tert-butyl-4-methylpyrimidine;ethane;methane
CID 159848930
[difluoro-(2-methyl-3-pyridinyl)methyl]phosphane
CID 142110745
1,1,1-trifluoro-2-(2-methyl-3-pyridinyl)propan-2-ol
CID 127017192
8-tert-butyl-5-methyl-1,6-naphthyridine
CID 170078486
5,8-ditert-butylquinoline;ethane
CID 142102448
bis(2,3-dimethylpyridine);ethane
CID 159594018
7-tert-butyl-8-methylquinoline
CID 146326372
2-(3-tert-butyl-2-pyridinyl)propan-2-ol
CID 166568505
3-tert-butyl-2-ethylpyridine
CID 20664467
3-tert-butyl-2-(2,3,3-trimethylbutan-2-yl)pyridine
CID 122695001

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-2-methylpyridine;ethane?
The IUPAC name of 3-tert-butyl-2-methylpyridine;ethane (CID 90980079) is 3-tert-butyl-2-methylpyridine;ethane.
What is the SMILES notation for 3-tert-butyl-2-methylpyridine;ethane?
The canonical SMILES for 3-tert-butyl-2-methylpyridine;ethane is CC.Cc1ncccc1C(C)(C)C.
What is the InChIKey of 3-tert-butyl-2-methylpyridine;ethane?
The InChIKey is HQYAVRJXLCDGGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N.C2H6/c1-8-9(10(2,3)4)6-5-7-11-8;1-2/h5-7H,1-4H3;1-2H3.
What are the key properties of 3-tert-butyl-2-methylpyridine;ethane?
3-tert-butyl-2-methylpyridine;ethane has a molecular weight of 179.31 g/mol, XLogP of 3.71, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-2-methylpyridine;ethane is sourced from PubChem (CID 90980079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).