2-(2-pyridin-3-yl-1,3-dioxolan-4-yl)ethanamine

C10H14N2O2 — CID 82125758

IUPAC2-(2-pyridin-3-yl-1,3-dioxolan-4-yl)ethanamine
SMILESNCCC1COC(c2cccnc2)O1
InChIInChI=1S/C10H14N2O2/c11-4-3-9-7-13-10(14-9)8-2-1-5-12-6-8/h1-2,5-6,9-10H,3-4,7,11H2
InChIKeyIBTGSJRIOYUIKX-UHFFFAOYSA-N
MW194.23 g/mol
LogP0.84
Rot. Bonds3

About 2-(2-pyridin-3-yl-1,3-dioxolan-4-yl)ethanamine

2-(2-pyridin-3-yl-1,3-dioxolan-4-yl)ethanamine (PubChem CID 82125758) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 2-(2-pyridin-3-yl-1,3-dioxolan-4-yl)ethanamine.

Molecular Properties

Compound Name2-(2-pyridin-3-yl-1,3-dioxolan-4-yl)ethanamine
PubChem CID82125758
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name2-(2-pyridin-3-yl-1,3-dioxolan-4-yl)ethanamine
SMILESNCCC1COC(c2cccnc2)O1
InChIInChI=1S/C10H14N2O2/c11-4-3-9-7-13-10(14-9)8-2-1-5-12-6-8/h1-2,5-6,9-10H,3-4,7,11H2
InChIKeyIBTGSJRIOYUIKX-UHFFFAOYSA-N
XLogP0.84
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2S,4R)-2-phenyl-1,3-dioxan-4-yl]ethanamine
CID 53306707
2-(5-pyridin-3-ylpyrazolidin-3-yl)ethanamine
CID 77052319
[(4S)-2-phenyl-1,3-dioxolan-4-yl]methanol
CID 10726056
3-[4-(aminomethyl)-1,3-dioxolan-2-yl]phenol
CID 79001840
4-hexyl-2-phenyl-1,3-dioxolane
CID 13289082
(2S,3S)-2-pyridin-3-yloxolan-3-amine
CID 124511858
[(1S,2R)-2-pyridin-3-ylcyclopropyl]methanamine
CID 86319036
3-(2-aminoethyl)-5-pyridin-3-yl-1,3-oxazolidin-2-one
CID 82077424
(5-pyridin-3-yl-4,5-dihydro-1H-pyrazol-3-yl)methanamine
CID 82072815
4-(3-hydroxypropyl)-5-pyridin-3-yloxolan-3-ol
CID 18953754
3-[4-(chloromethyl)-1,3-dioxolan-2-yl]phenol
CID 82778654
4-(chloromethyl)-2-(3-fluorophenyl)-1,3-dioxolane
CID 82776808

Frequently Asked Questions

What is the IUPAC name of 2-(2-pyridin-3-yl-1,3-dioxolan-4-yl)ethanamine?
The IUPAC name of 2-(2-pyridin-3-yl-1,3-dioxolan-4-yl)ethanamine (CID 82125758) is 2-(2-pyridin-3-yl-1,3-dioxolan-4-yl)ethanamine.
What is the SMILES notation for 2-(2-pyridin-3-yl-1,3-dioxolan-4-yl)ethanamine?
The canonical SMILES for 2-(2-pyridin-3-yl-1,3-dioxolan-4-yl)ethanamine is NCCC1COC(c2cccnc2)O1.
What is the InChIKey of 2-(2-pyridin-3-yl-1,3-dioxolan-4-yl)ethanamine?
The InChIKey is IBTGSJRIOYUIKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c11-4-3-9-7-13-10(14-9)8-2-1-5-12-6-8/h1-2,5-6,9-10H,3-4,7,11H2.
What are the key properties of 2-(2-pyridin-3-yl-1,3-dioxolan-4-yl)ethanamine?
2-(2-pyridin-3-yl-1,3-dioxolan-4-yl)ethanamine has a molecular weight of 194.23 g/mol, XLogP of 0.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-pyridin-3-yl-1,3-dioxolan-4-yl)ethanamine is sourced from PubChem (CID 82125758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).