ethane;2-ethyl-4-methyl-6-propan-2-ylpyridine

C15H29N — CID 142845622

IUPACethane;2-ethyl-4-methyl-6-propan-2-ylpyridine
SMILESCC.CC.CCc1cc(C)cc(C(C)C)n1
InChIInChI=1S/C11H17N.2C2H6/c1-5-10-6-9(4)7-11(12-10)8(2)3;2*1-2/h6-8H,5H2,1-4H3;2*1-2H3
InChIKeyHXWFWVGICAPODA-UHFFFAOYSA-N
MW223.40 g/mol
LogP5.13
Rot. Bonds2

About ethane;2-ethyl-4-methyl-6-propan-2-ylpyridine

ethane;2-ethyl-4-methyl-6-propan-2-ylpyridine (PubChem CID 142845622) has the molecular formula C15H29N and a molecular weight of 223.40 g/mol. Its IUPAC name is ethane;2-ethyl-4-methyl-6-propan-2-ylpyridine.

Molecular Properties

Compound Nameethane;2-ethyl-4-methyl-6-propan-2-ylpyridine
PubChem CID142845622
Molecular FormulaC15H29N
Molecular Weight223.40 g/mol
Exact Mass223.23
IUPAC Nameethane;2-ethyl-4-methyl-6-propan-2-ylpyridine
SMILESCC.CC.CCc1cc(C)cc(C(C)C)n1
InChIInChI=1S/C11H17N.2C2H6/c1-5-10-6-9(4)7-11(12-10)8(2)3;2*1-2/h6-8H,5H2,1-4H3;2*1-2H3
InChIKeyHXWFWVGICAPODA-UHFFFAOYSA-N
XLogP5.13
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500223.40
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;2-ethyl-4-methyl-6-propan-2-ylpyridine?
The IUPAC name of ethane;2-ethyl-4-methyl-6-propan-2-ylpyridine (CID 142845622) is ethane;2-ethyl-4-methyl-6-propan-2-ylpyridine.
What is the SMILES notation for ethane;2-ethyl-4-methyl-6-propan-2-ylpyridine?
The canonical SMILES for ethane;2-ethyl-4-methyl-6-propan-2-ylpyridine is CC.CC.CCc1cc(C)cc(C(C)C)n1.
What is the InChIKey of ethane;2-ethyl-4-methyl-6-propan-2-ylpyridine?
The InChIKey is HXWFWVGICAPODA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N.2C2H6/c1-5-10-6-9(4)7-11(12-10)8(2)3;2*1-2/h6-8H,5H2,1-4H3;2*1-2H3.
What are the key properties of ethane;2-ethyl-4-methyl-6-propan-2-ylpyridine?
ethane;2-ethyl-4-methyl-6-propan-2-ylpyridine has a molecular weight of 223.40 g/mol, XLogP of 5.13, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-ethyl-4-methyl-6-propan-2-ylpyridine is sourced from PubChem (CID 142845622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).