3,4-bis(2-methylpropyl)-5-propan-2-ylpyridine

C16H27N — CID 130291587

IUPAC3,4-bis(2-methylpropyl)-5-propan-2-ylpyridine
SMILESCC(C)Cc1cncc(C(C)C)c1CC(C)C
InChIInChI=1S/C16H27N/c1-11(2)7-14-9-17-10-16(13(5)6)15(14)8-12(3)4/h9-13H,7-8H2,1-6H3
InChIKeyUGZOCNPPKUMINB-UHFFFAOYSA-N
MW233.40 g/mol
LogP4.60
Rot. Bonds5

About 3,4-bis(2-methylpropyl)-5-propan-2-ylpyridine

3,4-bis(2-methylpropyl)-5-propan-2-ylpyridine (PubChem CID 130291587) has the molecular formula C16H27N and a molecular weight of 233.40 g/mol. Its IUPAC name is 3,4-bis(2-methylpropyl)-5-propan-2-ylpyridine.

Molecular Properties

Compound Name3,4-bis(2-methylpropyl)-5-propan-2-ylpyridine
PubChem CID130291587
Molecular FormulaC16H27N
Molecular Weight233.40 g/mol
Exact Mass233.21
IUPAC Name3,4-bis(2-methylpropyl)-5-propan-2-ylpyridine
SMILESCC(C)Cc1cncc(C(C)C)c1CC(C)C
InChIInChI=1S/C16H27N/c1-11(2)7-14-9-17-10-16(13(5)6)15(14)8-12(3)4/h9-13H,7-8H2,1-6H3
InChIKeyUGZOCNPPKUMINB-UHFFFAOYSA-N
XLogP4.60
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.40
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,4-bis(2-methylpropyl)-5-propan-2-ylpyridine?
The IUPAC name of 3,4-bis(2-methylpropyl)-5-propan-2-ylpyridine (CID 130291587) is 3,4-bis(2-methylpropyl)-5-propan-2-ylpyridine.
What is the SMILES notation for 3,4-bis(2-methylpropyl)-5-propan-2-ylpyridine?
The canonical SMILES for 3,4-bis(2-methylpropyl)-5-propan-2-ylpyridine is CC(C)Cc1cncc(C(C)C)c1CC(C)C.
What is the InChIKey of 3,4-bis(2-methylpropyl)-5-propan-2-ylpyridine?
The InChIKey is UGZOCNPPKUMINB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N/c1-11(2)7-14-9-17-10-16(13(5)6)15(14)8-12(3)4/h9-13H,7-8H2,1-6H3.
What are the key properties of 3,4-bis(2-methylpropyl)-5-propan-2-ylpyridine?
3,4-bis(2-methylpropyl)-5-propan-2-ylpyridine has a molecular weight of 233.40 g/mol, XLogP of 4.60, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-bis(2-methylpropyl)-5-propan-2-ylpyridine is sourced from PubChem (CID 130291587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).