[5-(2-pyridin-4-ylethyl)oxolan-2-yl]methanamine

C12H18N2O — CID 59825607

IUPAC[5-(2-pyridin-4-ylethyl)oxolan-2-yl]methanamine
SMILESNCC1CCC(CCc2ccncc2)O1
InChIInChI=1S/C12H18N2O/c13-9-12-4-3-11(15-12)2-1-10-5-7-14-8-6-10/h5-8,11-12H,1-4,9,13H2
InChIKeyWDKMHSFXTSJVSS-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.52
Rot. Bonds4

About [5-(2-pyridin-4-ylethyl)oxolan-2-yl]methanamine

[5-(2-pyridin-4-ylethyl)oxolan-2-yl]methanamine (PubChem CID 59825607) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is [5-(2-pyridin-4-ylethyl)oxolan-2-yl]methanamine.

Molecular Properties

Compound Name[5-(2-pyridin-4-ylethyl)oxolan-2-yl]methanamine
PubChem CID59825607
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name[5-(2-pyridin-4-ylethyl)oxolan-2-yl]methanamine
SMILESNCC1CCC(CCc2ccncc2)O1
InChIInChI=1S/C12H18N2O/c13-9-12-4-3-11(15-12)2-1-10-5-7-14-8-6-10/h5-8,11-12H,1-4,9,13H2
InChIKeyWDKMHSFXTSJVSS-UHFFFAOYSA-N
XLogP1.52
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-(2-pyridin-4-ylethyl)oxolan-2-yl]methanamine?
The IUPAC name of [5-(2-pyridin-4-ylethyl)oxolan-2-yl]methanamine (CID 59825607) is [5-(2-pyridin-4-ylethyl)oxolan-2-yl]methanamine.
What is the SMILES notation for [5-(2-pyridin-4-ylethyl)oxolan-2-yl]methanamine?
The canonical SMILES for [5-(2-pyridin-4-ylethyl)oxolan-2-yl]methanamine is NCC1CCC(CCc2ccncc2)O1.
What is the InChIKey of [5-(2-pyridin-4-ylethyl)oxolan-2-yl]methanamine?
The InChIKey is WDKMHSFXTSJVSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c13-9-12-4-3-11(15-12)2-1-10-5-7-14-8-6-10/h5-8,11-12H,1-4,9,13H2.
What are the key properties of [5-(2-pyridin-4-ylethyl)oxolan-2-yl]methanamine?
[5-(2-pyridin-4-ylethyl)oxolan-2-yl]methanamine has a molecular weight of 206.29 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-pyridin-4-ylethyl)oxolan-2-yl]methanamine is sourced from PubChem (CID 59825607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).