2-(oxolan-3-yl)-N-(2-pyridin-2-ylethyl)ethanamine

C13H20N2O — CID 102671285

IUPAC2-(oxolan-3-yl)-N-(2-pyridin-2-ylethyl)ethanamine
SMILESc1ccc(CCNCCC2CCOC2)nc1
InChIInChI=1S/C13H20N2O/c1-2-7-15-13(3-1)5-9-14-8-4-12-6-10-16-11-12/h1-3,7,12,14H,4-6,8-11H2
InChIKeyBCURVCZZIJFJMO-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.64
Rot. Bonds6

About 2-(oxolan-3-yl)-N-(2-pyridin-2-ylethyl)ethanamine

2-(oxolan-3-yl)-N-(2-pyridin-2-ylethyl)ethanamine (PubChem CID 102671285) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 2-(oxolan-3-yl)-N-(2-pyridin-2-ylethyl)ethanamine.

Molecular Properties

Compound Name2-(oxolan-3-yl)-N-(2-pyridin-2-ylethyl)ethanamine
PubChem CID102671285
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name2-(oxolan-3-yl)-N-(2-pyridin-2-ylethyl)ethanamine
SMILESc1ccc(CCNCCC2CCOC2)nc1
InChIInChI=1S/C13H20N2O/c1-2-7-15-13(3-1)5-9-14-8-4-12-6-10-16-11-12/h1-3,7,12,14H,4-6,8-11H2
InChIKeyBCURVCZZIJFJMO-UHFFFAOYSA-N
XLogP1.64
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(oxolan-3-yl)ethyl]-3-phenylpropan-1-amine
CID 102671288
N-[2-(oxolan-3-yl)ethyl]-3-phenoxypropan-1-amine
CID 102671422
4-(oxan-4-yl)-N-(pyridin-2-ylmethyl)butan-1-amine
CID 114190984
3-morpholin-4-yl-N-(2-pyridin-2-ylethyl)propan-1-amine
CID 60649527
N-(2-pyridin-2-ylethyl)oxane-4-carboxamide
CID 51073128
4-N-(2-pyridin-2-ylethyl)cyclohexane-1,4-diamine
CID 79724278
(1R)-2-[(3R)-oxolan-3-yl]-1-phenyl-N-(pyridin-2-ylmethyl)ethanamine
CID 97241292
2-pyridin-2-yl-N-[2-[2-(2-pyridin-2-ylethylamino)ethyldisulfanyl]ethyl]ethanamine
CID 101109360
N-benzyl-1-[(3S)-oxolan-3-yl]-N-(pyridin-2-ylmethyl)methanamine
CID 95857698
N-[2-(oxolan-3-yl)ethyl]-3-phenylprop-2-yn-1-amine
CID 114130521
N'-[2-(2-pyridin-2-ylethylamino)ethyl]ethane-1,2-diamine;tetrahydrochloride
CID 11530463
N-[2-(oxolan-3-yl)ethyl]-2,3-dihydro-1H-inden-2-amine
CID 113424537

Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-3-yl)-N-(2-pyridin-2-ylethyl)ethanamine?
The IUPAC name of 2-(oxolan-3-yl)-N-(2-pyridin-2-ylethyl)ethanamine (CID 102671285) is 2-(oxolan-3-yl)-N-(2-pyridin-2-ylethyl)ethanamine.
What is the SMILES notation for 2-(oxolan-3-yl)-N-(2-pyridin-2-ylethyl)ethanamine?
The canonical SMILES for 2-(oxolan-3-yl)-N-(2-pyridin-2-ylethyl)ethanamine is c1ccc(CCNCCC2CCOC2)nc1.
What is the InChIKey of 2-(oxolan-3-yl)-N-(2-pyridin-2-ylethyl)ethanamine?
The InChIKey is BCURVCZZIJFJMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-2-7-15-13(3-1)5-9-14-8-4-12-6-10-16-11-12/h1-3,7,12,14H,4-6,8-11H2.
What are the key properties of 2-(oxolan-3-yl)-N-(2-pyridin-2-ylethyl)ethanamine?
2-(oxolan-3-yl)-N-(2-pyridin-2-ylethyl)ethanamine has a molecular weight of 220.32 g/mol, XLogP of 1.64, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-3-yl)-N-(2-pyridin-2-ylethyl)ethanamine is sourced from PubChem (CID 102671285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).