2-(oxolan-2-yl)-1-pyridin-3-ylethanamine

C11H16N2O — CID 60924969

IUPAC2-(oxolan-2-yl)-1-pyridin-3-ylethanamine
SMILESNC(CC1CCCO1)c1cccnc1
InChIInChI=1S/C11H16N2O/c12-11(7-10-4-2-6-14-10)9-3-1-5-13-8-9/h1,3,5,8,10-11H,2,4,6-7,12H2
InChIKeyDIGNXHMYHLGCNL-UHFFFAOYSA-N
MW192.26 g/mol
LogP1.65
Rot. Bonds3

About 2-(oxolan-2-yl)-1-pyridin-3-ylethanamine

2-(oxolan-2-yl)-1-pyridin-3-ylethanamine (PubChem CID 60924969) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 2-(oxolan-2-yl)-1-pyridin-3-ylethanamine.

Molecular Properties

Compound Name2-(oxolan-2-yl)-1-pyridin-3-ylethanamine
PubChem CID60924969
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name2-(oxolan-2-yl)-1-pyridin-3-ylethanamine
SMILESNC(CC1CCCO1)c1cccnc1
InChIInChI=1S/C11H16N2O/c12-11(7-10-4-2-6-14-10)9-3-1-5-13-8-9/h1,3,5,8,10-11H,2,4,6-7,12H2
InChIKeyDIGNXHMYHLGCNL-UHFFFAOYSA-N
XLogP1.65
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-2-yl)-1-pyridin-3-ylethanamine?
The IUPAC name of 2-(oxolan-2-yl)-1-pyridin-3-ylethanamine (CID 60924969) is 2-(oxolan-2-yl)-1-pyridin-3-ylethanamine.
What is the SMILES notation for 2-(oxolan-2-yl)-1-pyridin-3-ylethanamine?
The canonical SMILES for 2-(oxolan-2-yl)-1-pyridin-3-ylethanamine is NC(CC1CCCO1)c1cccnc1.
What is the InChIKey of 2-(oxolan-2-yl)-1-pyridin-3-ylethanamine?
The InChIKey is DIGNXHMYHLGCNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c12-11(7-10-4-2-6-14-10)9-3-1-5-13-8-9/h1,3,5,8,10-11H,2,4,6-7,12H2.
What are the key properties of 2-(oxolan-2-yl)-1-pyridin-3-ylethanamine?
2-(oxolan-2-yl)-1-pyridin-3-ylethanamine has a molecular weight of 192.26 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-2-yl)-1-pyridin-3-ylethanamine is sourced from PubChem (CID 60924969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).