3-[2-(5,5-dimethyloxolan-2-yl)ethyl]pyridin-2-amine

C13H20N2O — CID 116524139

IUPAC3-[2-(5,5-dimethyloxolan-2-yl)ethyl]pyridin-2-amine
SMILESCC1(C)CCC(CCc2cccnc2N)O1
InChIInChI=1S/C13H20N2O/c1-13(2)8-7-11(16-13)6-5-10-4-3-9-15-12(10)14/h3-4,9,11H,5-8H2,1-2H3,(H2,14,15)
InChIKeyDWLMYBGBVZNVOS-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.55
Rot. Bonds3

About 3-[2-(5,5-dimethyloxolan-2-yl)ethyl]pyridin-2-amine

3-[2-(5,5-dimethyloxolan-2-yl)ethyl]pyridin-2-amine (PubChem CID 116524139) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 3-[2-(5,5-dimethyloxolan-2-yl)ethyl]pyridin-2-amine.

Molecular Properties

Compound Name3-[2-(5,5-dimethyloxolan-2-yl)ethyl]pyridin-2-amine
PubChem CID116524139
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name3-[2-(5,5-dimethyloxolan-2-yl)ethyl]pyridin-2-amine
SMILESCC1(C)CCC(CCc2cccnc2N)O1
InChIInChI=1S/C13H20N2O/c1-13(2)8-7-11(16-13)6-5-10-4-3-9-15-12(10)14/h3-4,9,11H,5-8H2,1-2H3,(H2,14,15)
InChIKeyDWLMYBGBVZNVOS-UHFFFAOYSA-N
XLogP2.55
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(5,5-dimethyloxolan-2-yl)ethyl]pyridin-2-amine?
The IUPAC name of 3-[2-(5,5-dimethyloxolan-2-yl)ethyl]pyridin-2-amine (CID 116524139) is 3-[2-(5,5-dimethyloxolan-2-yl)ethyl]pyridin-2-amine.
What is the SMILES notation for 3-[2-(5,5-dimethyloxolan-2-yl)ethyl]pyridin-2-amine?
The canonical SMILES for 3-[2-(5,5-dimethyloxolan-2-yl)ethyl]pyridin-2-amine is CC1(C)CCC(CCc2cccnc2N)O1.
What is the InChIKey of 3-[2-(5,5-dimethyloxolan-2-yl)ethyl]pyridin-2-amine?
The InChIKey is DWLMYBGBVZNVOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-13(2)8-7-11(16-13)6-5-10-4-3-9-15-12(10)14/h3-4,9,11H,5-8H2,1-2H3,(H2,14,15).
What are the key properties of 3-[2-(5,5-dimethyloxolan-2-yl)ethyl]pyridin-2-amine?
3-[2-(5,5-dimethyloxolan-2-yl)ethyl]pyridin-2-amine has a molecular weight of 220.32 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(5,5-dimethyloxolan-2-yl)ethyl]pyridin-2-amine is sourced from PubChem (CID 116524139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).