3-tert-butyl-5-propan-2-ylpyridine;ethane

C14H25N — CID 162747621

IUPAC3-tert-butyl-5-propan-2-ylpyridine;ethane
SMILESCC.CC(C)c1cncc(C(C)(C)C)c1
InChIInChI=1S/C12H19N.C2H6/c1-9(2)10-6-11(8-13-7-10)12(3,4)5;1-2/h6-9H,1-5H3;1-2H3
InChIKeyDCCRSVNEDAVETH-UHFFFAOYSA-N
MW207.36 g/mol
LogP4.53
Rot. Bonds1

About 3-tert-butyl-5-propan-2-ylpyridine;ethane

3-tert-butyl-5-propan-2-ylpyridine;ethane (PubChem CID 162747621) has the molecular formula C14H25N and a molecular weight of 207.36 g/mol. Its IUPAC name is 3-tert-butyl-5-propan-2-ylpyridine;ethane.

Molecular Properties

Compound Name3-tert-butyl-5-propan-2-ylpyridine;ethane
PubChem CID162747621
Molecular FormulaC14H25N
Molecular Weight207.36 g/mol
Exact Mass207.20
IUPAC Name3-tert-butyl-5-propan-2-ylpyridine;ethane
SMILESCC.CC(C)c1cncc(C(C)(C)C)c1
InChIInChI=1S/C12H19N.C2H6/c1-9(2)10-6-11(8-13-7-10)12(3,4)5;1-2/h6-9H,1-5H3;1-2H3
InChIKeyDCCRSVNEDAVETH-UHFFFAOYSA-N
XLogP4.53
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.36
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-tert-butyl-3-fluoro-2-[2-[5-(trifluoromethyl)-3-pyridinyl]propyl]pyridine
CID 139494943
2-tert-butyl-3-methyl-5-propan-2-ylpyridine
CID 134415008
3-ethenyl-5-propan-2-ylpyridine
CID 74788587
1-tert-butyl-4-(5-propan-2-yl-3-pyridinyl)piperazine
CID 58563498
5-propan-2-ylpyridine-3-carbaldehyde;hydrochloride
CID 155943309
3-tert-butyl-5-(2-methylbutan-2-yl)pyridine
CID 130358152
3-tert-butyl-5-methoxypyridine
CID 21031507
(1R,2S)-1-amino-1-[5-(trifluoromethyl)-3-pyridinyl]propan-2-ol
CID 131463737
5-(5-propan-2-yl-3-pyridinyl)pyrimidin-2-amine
CID 59333399
3-chloro-2-ethyl-5-propan-2-ylpyridine;ethane
CID 142611311
5-tert-butyl-2-methyl-3-propan-2-ylpyridine
CID 58861335
1-(3,5-ditert-butylphenyl)ethyl-trimethylsilane
CID 174954142

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-5-propan-2-ylpyridine;ethane?
The IUPAC name of 3-tert-butyl-5-propan-2-ylpyridine;ethane (CID 162747621) is 3-tert-butyl-5-propan-2-ylpyridine;ethane.
What is the SMILES notation for 3-tert-butyl-5-propan-2-ylpyridine;ethane?
The canonical SMILES for 3-tert-butyl-5-propan-2-ylpyridine;ethane is CC.CC(C)c1cncc(C(C)(C)C)c1.
What is the InChIKey of 3-tert-butyl-5-propan-2-ylpyridine;ethane?
The InChIKey is DCCRSVNEDAVETH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N.C2H6/c1-9(2)10-6-11(8-13-7-10)12(3,4)5;1-2/h6-9H,1-5H3;1-2H3.
What are the key properties of 3-tert-butyl-5-propan-2-ylpyridine;ethane?
3-tert-butyl-5-propan-2-ylpyridine;ethane has a molecular weight of 207.36 g/mol, XLogP of 4.53, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-5-propan-2-ylpyridine;ethane is sourced from PubChem (CID 162747621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).