2-(4-methylheptan-4-yl)-5-propylpyridine

C16H27N — CID 91073011

IUPAC2-(4-methylheptan-4-yl)-5-propylpyridine
SMILESCCCc1ccc(C(C)(CCC)CCC)nc1
InChIInChI=1S/C16H27N/c1-5-8-14-9-10-15(17-13-14)16(4,11-6-2)12-7-3/h9-10,13H,5-8,11-12H2,1-4H3
InChIKeyVAGXLBZZKSVURP-UHFFFAOYSA-N
MW233.40 g/mol
LogP4.89
Rot. Bonds7

About 2-(4-methylheptan-4-yl)-5-propylpyridine

2-(4-methylheptan-4-yl)-5-propylpyridine (PubChem CID 91073011) has the molecular formula C16H27N and a molecular weight of 233.40 g/mol. Its IUPAC name is 2-(4-methylheptan-4-yl)-5-propylpyridine.

Molecular Properties

Compound Name2-(4-methylheptan-4-yl)-5-propylpyridine
PubChem CID91073011
Molecular FormulaC16H27N
Molecular Weight233.40 g/mol
Exact Mass233.21
IUPAC Name2-(4-methylheptan-4-yl)-5-propylpyridine
SMILESCCCc1ccc(C(C)(CCC)CCC)nc1
InChIInChI=1S/C16H27N/c1-5-8-14-9-10-15(17-13-14)16(4,11-6-2)12-7-3/h9-10,13H,5-8,11-12H2,1-4H3
InChIKeyVAGXLBZZKSVURP-UHFFFAOYSA-N
XLogP4.89
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.40
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylheptan-4-yl)-5-propylpyridine?
The IUPAC name of 2-(4-methylheptan-4-yl)-5-propylpyridine (CID 91073011) is 2-(4-methylheptan-4-yl)-5-propylpyridine.
What is the SMILES notation for 2-(4-methylheptan-4-yl)-5-propylpyridine?
The canonical SMILES for 2-(4-methylheptan-4-yl)-5-propylpyridine is CCCc1ccc(C(C)(CCC)CCC)nc1.
What is the InChIKey of 2-(4-methylheptan-4-yl)-5-propylpyridine?
The InChIKey is VAGXLBZZKSVURP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N/c1-5-8-14-9-10-15(17-13-14)16(4,11-6-2)12-7-3/h9-10,13H,5-8,11-12H2,1-4H3.
What are the key properties of 2-(4-methylheptan-4-yl)-5-propylpyridine?
2-(4-methylheptan-4-yl)-5-propylpyridine has a molecular weight of 233.40 g/mol, XLogP of 4.89, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylheptan-4-yl)-5-propylpyridine is sourced from PubChem (CID 91073011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).