2-[2,5-dimethyl-5-(oxan-4-yl)hexan-2-yl]-4-methylpyridine

C19H31NO — CID 175639028

IUPAC2-[2,5-dimethyl-5-(oxan-4-yl)hexan-2-yl]-4-methylpyridine
SMILESCc1ccnc(C(C)(C)CCC(C)(C)C2CCOCC2)c1
InChIInChI=1S/C19H31NO/c1-15-6-11-20-17(14-15)19(4,5)10-9-18(2,3)16-7-12-21-13-8-16/h6,11,14,16H,7-10,12-13H2,1-5H3
InChIKeyYUJZXJSKOQDUHE-UHFFFAOYSA-N
MW289.46 g/mol
LogP4.90
Rot. Bonds5

About 2-[2,5-dimethyl-5-(oxan-4-yl)hexan-2-yl]-4-methylpyridine

2-[2,5-dimethyl-5-(oxan-4-yl)hexan-2-yl]-4-methylpyridine (PubChem CID 175639028) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is 2-[2,5-dimethyl-5-(oxan-4-yl)hexan-2-yl]-4-methylpyridine.

Molecular Properties

Compound Name2-[2,5-dimethyl-5-(oxan-4-yl)hexan-2-yl]-4-methylpyridine
PubChem CID175639028
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC Name2-[2,5-dimethyl-5-(oxan-4-yl)hexan-2-yl]-4-methylpyridine
SMILESCc1ccnc(C(C)(C)CCC(C)(C)C2CCOCC2)c1
InChIInChI=1S/C19H31NO/c1-15-6-11-20-17(14-15)19(4,5)10-9-18(2,3)16-7-12-21-13-8-16/h6,11,14,16H,7-10,12-13H2,1-5H3
InChIKeyYUJZXJSKOQDUHE-UHFFFAOYSA-N
XLogP4.90
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2,5-dimethyl-5-(oxan-4-yl)hexan-2-yl]-4-methylpyridine?
The IUPAC name of 2-[2,5-dimethyl-5-(oxan-4-yl)hexan-2-yl]-4-methylpyridine (CID 175639028) is 2-[2,5-dimethyl-5-(oxan-4-yl)hexan-2-yl]-4-methylpyridine.
What is the SMILES notation for 2-[2,5-dimethyl-5-(oxan-4-yl)hexan-2-yl]-4-methylpyridine?
The canonical SMILES for 2-[2,5-dimethyl-5-(oxan-4-yl)hexan-2-yl]-4-methylpyridine is Cc1ccnc(C(C)(C)CCC(C)(C)C2CCOCC2)c1.
What is the InChIKey of 2-[2,5-dimethyl-5-(oxan-4-yl)hexan-2-yl]-4-methylpyridine?
The InChIKey is YUJZXJSKOQDUHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-15-6-11-20-17(14-15)19(4,5)10-9-18(2,3)16-7-12-21-13-8-16/h6,11,14,16H,7-10,12-13H2,1-5H3.
What are the key properties of 2-[2,5-dimethyl-5-(oxan-4-yl)hexan-2-yl]-4-methylpyridine?
2-[2,5-dimethyl-5-(oxan-4-yl)hexan-2-yl]-4-methylpyridine has a molecular weight of 289.46 g/mol, XLogP of 4.90, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,5-dimethyl-5-(oxan-4-yl)hexan-2-yl]-4-methylpyridine is sourced from PubChem (CID 175639028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).