3-tert-butyl-4-propan-2-ylpyridine

C12H19N — CID 59734411

IUPAC3-tert-butyl-4-propan-2-ylpyridine
SMILESCC(C)c1ccncc1C(C)(C)C
InChIInChI=1S/C12H19N/c1-9(2)10-6-7-13-8-11(10)12(3,4)5/h6-9H,1-5H3
InChIKeyGFGABDSUKVBGQP-UHFFFAOYSA-N
MW177.29 g/mol
LogP3.50
Rot. Bonds1

About 3-tert-butyl-4-propan-2-ylpyridine

3-tert-butyl-4-propan-2-ylpyridine (PubChem CID 59734411) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is 3-tert-butyl-4-propan-2-ylpyridine.

Molecular Properties

Compound Name3-tert-butyl-4-propan-2-ylpyridine
PubChem CID59734411
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC Name3-tert-butyl-4-propan-2-ylpyridine
SMILESCC(C)c1ccncc1C(C)(C)C
InChIInChI=1S/C12H19N/c1-9(2)10-6-7-13-8-11(10)12(3,4)5/h6-9H,1-5H3
InChIKeyGFGABDSUKVBGQP-UHFFFAOYSA-N
XLogP3.50
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-propan-2-yl-4-pyridinyl)propan-2-ol
CID 115008742
3,4-ditert-butylpyridine
CID 13244751
N-ethyl-4-propan-2-ylpyridin-3-amine
CID 142196462
1,2-ditert-butylbenzene;3,4-ditert-butylpyridine
CID 158272482
4-(3-methylbutan-2-yl)-3-(trifluoromethyl)pyridine
CID 170214219
4-propan-2-yl-3-pyridin-4-ylpyridine
CID 138726377
(2-tert-butylphenyl)-(3-fluoro-4-pyridinyl)methanamine
CID 105038455
bis(1,2-ditert-butylbenzene);3,4-ditert-butylpyridine;1,1,1-trifluoroethane
CID 161373964
2-(4-propan-2-yloxy-3-pyridinyl)propan-2-ol
CID 84666329
4-propan-2-yl-3-prop-1-ynylpyridine
CID 163224364
4-(3,3-dimethylbutan-2-yl)-3-iodopyridine
CID 170214211
3-[5-tert-butyl-2-methyl-3-(4-propan-2-yl-3-pyridinyl)phenyl]-5-methyl-4-propan-2-ylpyridine
CID 129189626

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-4-propan-2-ylpyridine?
The IUPAC name of 3-tert-butyl-4-propan-2-ylpyridine (CID 59734411) is 3-tert-butyl-4-propan-2-ylpyridine.
What is the SMILES notation for 3-tert-butyl-4-propan-2-ylpyridine?
The canonical SMILES for 3-tert-butyl-4-propan-2-ylpyridine is CC(C)c1ccncc1C(C)(C)C.
What is the InChIKey of 3-tert-butyl-4-propan-2-ylpyridine?
The InChIKey is GFGABDSUKVBGQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N/c1-9(2)10-6-7-13-8-11(10)12(3,4)5/h6-9H,1-5H3.
What are the key properties of 3-tert-butyl-4-propan-2-ylpyridine?
3-tert-butyl-4-propan-2-ylpyridine has a molecular weight of 177.29 g/mol, XLogP of 3.50, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-4-propan-2-ylpyridine is sourced from PubChem (CID 59734411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).