5-(1,3-dioxolan-2-yl)-2,3-dimethyl-6-(3-methylbutyl)pyridine

C15H23NO2 — CID 175922079

IUPAC5-(1,3-dioxolan-2-yl)-2,3-dimethyl-6-(3-methylbutyl)pyridine
SMILESCc1cc(C2OCCO2)c(CCC(C)C)nc1C
InChIInChI=1S/C15H23NO2/c1-10(2)5-6-14-13(15-17-7-8-18-15)9-11(3)12(4)16-14/h9-10,15H,5-8H2,1-4H3
InChIKeyYXGCXLSTQNVKJD-UHFFFAOYSA-N
MW249.35 g/mol
LogP3.33
Rot. Bonds4

About 5-(1,3-dioxolan-2-yl)-2,3-dimethyl-6-(3-methylbutyl)pyridine

5-(1,3-dioxolan-2-yl)-2,3-dimethyl-6-(3-methylbutyl)pyridine (PubChem CID 175922079) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 5-(1,3-dioxolan-2-yl)-2,3-dimethyl-6-(3-methylbutyl)pyridine.

Molecular Properties

Compound Name5-(1,3-dioxolan-2-yl)-2,3-dimethyl-6-(3-methylbutyl)pyridine
PubChem CID175922079
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name5-(1,3-dioxolan-2-yl)-2,3-dimethyl-6-(3-methylbutyl)pyridine
SMILESCc1cc(C2OCCO2)c(CCC(C)C)nc1C
InChIInChI=1S/C15H23NO2/c1-10(2)5-6-14-13(15-17-7-8-18-15)9-11(3)12(4)16-14/h9-10,15H,5-8H2,1-4H3
InChIKeyYXGCXLSTQNVKJD-UHFFFAOYSA-N
XLogP3.33
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-3-(1,3-dioxolan-2-yl)-5,6-dimethylpyridine
CID 138524012
5-methyl-3-(4-methylpentyl)-1,2-oxazole
CID 58970609
3-ethyl-5-methyl-2-(3-methylbutyl)pyrazine
CID 172848670
2-(bromomethyl)-5-(1,3-dioxolan-2-yl)-3,6-dimethylpyrazine
CID 145226180
1,4-dimethyl-3-(3-methylbutyl)pyrazole
CID 58990513
3-(1,3-dioxolan-2-yl)-2-iodoquinoline
CID 11347989
6-cyclopropyl-N-methyl-2-(3-methylbutyl)pyrimidin-4-amine
CID 63354387
1-[4,6-dimethyl-2-(3-methylbutyl)pyrimidin-5-yl]-N-methylmethanamine
CID 62745995
1-[2-(2-ethylmorpholin-4-yl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine
CID 62751302
2-[[4-(1,3-dioxolan-2-yl)-2,5-dimethylphenyl]methylamino]spiro[2.3]hexan-5-ol
CID 146104660
2,5-dimethyl-4-(4-methylpentyl)pyrimidine
CID 58281699
3-ethyl-2-methyl-5-(3-methylbutyl)pyrazine
CID 55254890

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-dioxolan-2-yl)-2,3-dimethyl-6-(3-methylbutyl)pyridine?
The IUPAC name of 5-(1,3-dioxolan-2-yl)-2,3-dimethyl-6-(3-methylbutyl)pyridine (CID 175922079) is 5-(1,3-dioxolan-2-yl)-2,3-dimethyl-6-(3-methylbutyl)pyridine.
What is the SMILES notation for 5-(1,3-dioxolan-2-yl)-2,3-dimethyl-6-(3-methylbutyl)pyridine?
The canonical SMILES for 5-(1,3-dioxolan-2-yl)-2,3-dimethyl-6-(3-methylbutyl)pyridine is Cc1cc(C2OCCO2)c(CCC(C)C)nc1C.
What is the InChIKey of 5-(1,3-dioxolan-2-yl)-2,3-dimethyl-6-(3-methylbutyl)pyridine?
The InChIKey is YXGCXLSTQNVKJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-10(2)5-6-14-13(15-17-7-8-18-15)9-11(3)12(4)16-14/h9-10,15H,5-8H2,1-4H3.
What are the key properties of 5-(1,3-dioxolan-2-yl)-2,3-dimethyl-6-(3-methylbutyl)pyridine?
5-(1,3-dioxolan-2-yl)-2,3-dimethyl-6-(3-methylbutyl)pyridine has a molecular weight of 249.35 g/mol, XLogP of 3.33, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-dioxolan-2-yl)-2,3-dimethyl-6-(3-methylbutyl)pyridine is sourced from PubChem (CID 175922079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).