ethane;2,4,5-tri(propan-2-yl)pyridine

C16H29N — CID 167652229

IUPACethane;2,4,5-tri(propan-2-yl)pyridine
SMILESCC.CC(C)c1cc(C(C)C)c(C(C)C)cn1
InChIInChI=1S/C14H23N.C2H6/c1-9(2)12-7-14(11(5)6)15-8-13(12)10(3)4;1-2/h7-11H,1-6H3;1-2H3
InChIKeyQSZDZZLBUOLHGI-UHFFFAOYSA-N
MW235.41 g/mol
LogP5.48
Rot. Bonds3

About ethane;2,4,5-tri(propan-2-yl)pyridine

ethane;2,4,5-tri(propan-2-yl)pyridine (PubChem CID 167652229) has the molecular formula C16H29N and a molecular weight of 235.41 g/mol. Its IUPAC name is ethane;2,4,5-tri(propan-2-yl)pyridine.

Molecular Properties

Compound Nameethane;2,4,5-tri(propan-2-yl)pyridine
PubChem CID167652229
Molecular FormulaC16H29N
Molecular Weight235.41 g/mol
Exact Mass235.23
IUPAC Nameethane;2,4,5-tri(propan-2-yl)pyridine
SMILESCC.CC(C)c1cc(C(C)C)c(C(C)C)cn1
InChIInChI=1S/C14H23N.C2H6/c1-9(2)12-7-14(11(5)6)15-8-13(12)10(3)4;1-2/h7-11H,1-6H3;1-2H3
InChIKeyQSZDZZLBUOLHGI-UHFFFAOYSA-N
XLogP5.48
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500235.41
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

6-propan-2-ylpyridine-3,4-diamine
CID 22380346
4,5-difluoro-2-propan-2-ylpyridine
CID 170611007
[4-(difluoromethyl)-6-propan-2-yl-3-pyridinyl]methanamine
CID 84669445
[4,5-di(propan-2-yl)-2-pyridinyl]methanol
CID 177367949
ethane;6-propan-2-yl-[1,3]thiazolo[5,4-c]pyridine
CID 153396887
ethane;5-propan-2-yl-1H-pyrazolo[3,4-c]pyridine
CID 171795656
5,7-di(propan-2-yl)-[1,3]thiazolo[5,4-b]pyridine
CID 166928332
3-methyl-2,5-di(propan-2-yl)pyridine;4-methyl-2,5-di(propan-2-yl)pyridine
CID 158667485
4-chloro-6-propan-2-ylpyridin-3-ol
CID 137430769
4-bromo-5-fluoro-2-propan-2-ylpyridine
CID 130153353
ethane;5-methyl-2-propan-2-ylpyridine
CID 178109062
3,4,6-tri(propan-2-yl)pyridazine
CID 58164838

Frequently Asked Questions

What is the IUPAC name of ethane;2,4,5-tri(propan-2-yl)pyridine?
The IUPAC name of ethane;2,4,5-tri(propan-2-yl)pyridine (CID 167652229) is ethane;2,4,5-tri(propan-2-yl)pyridine.
What is the SMILES notation for ethane;2,4,5-tri(propan-2-yl)pyridine?
The canonical SMILES for ethane;2,4,5-tri(propan-2-yl)pyridine is CC.CC(C)c1cc(C(C)C)c(C(C)C)cn1.
What is the InChIKey of ethane;2,4,5-tri(propan-2-yl)pyridine?
The InChIKey is QSZDZZLBUOLHGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N.C2H6/c1-9(2)12-7-14(11(5)6)15-8-13(12)10(3)4;1-2/h7-11H,1-6H3;1-2H3.
What are the key properties of ethane;2,4,5-tri(propan-2-yl)pyridine?
ethane;2,4,5-tri(propan-2-yl)pyridine has a molecular weight of 235.41 g/mol, XLogP of 5.48, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2,4,5-tri(propan-2-yl)pyridine is sourced from PubChem (CID 167652229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).