1-(3-ethyl-2-pyridinyl)-3-(oxolan-2-yl)propan-1-amine

C14H22N2O — CID 82730277

IUPAC1-(3-ethyl-2-pyridinyl)-3-(oxolan-2-yl)propan-1-amine
SMILESCCc1cccnc1C(N)CCC1CCCO1
InChIInChI=1S/C14H22N2O/c1-2-11-5-3-9-16-14(11)13(15)8-7-12-6-4-10-17-12/h3,5,9,12-13H,2,4,6-8,10,15H2,1H3
InChIKeyPJYADPAMYREVCU-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.60
Rot. Bonds5

About 1-(3-ethyl-2-pyridinyl)-3-(oxolan-2-yl)propan-1-amine

1-(3-ethyl-2-pyridinyl)-3-(oxolan-2-yl)propan-1-amine (PubChem CID 82730277) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 1-(3-ethyl-2-pyridinyl)-3-(oxolan-2-yl)propan-1-amine.

Molecular Properties

Compound Name1-(3-ethyl-2-pyridinyl)-3-(oxolan-2-yl)propan-1-amine
PubChem CID82730277
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name1-(3-ethyl-2-pyridinyl)-3-(oxolan-2-yl)propan-1-amine
SMILESCCc1cccnc1C(N)CCC1CCCO1
InChIInChI=1S/C14H22N2O/c1-2-11-5-3-9-16-14(11)13(15)8-7-12-6-4-10-17-12/h3,5,9,12-13H,2,4,6-8,10,15H2,1H3
InChIKeyPJYADPAMYREVCU-UHFFFAOYSA-N
XLogP2.60
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(oxolan-2-yl)-1-(2-propoxyphenyl)propan-1-amine
CID 105035854
1-(2,6-dimethoxyphenyl)-3-(oxolan-2-yl)propan-1-amine
CID 104993546
1-(3-methylphenyl)-3-(oxolan-2-yl)propan-1-amine
CID 65167390
1-(1-ethylimidazol-2-yl)-3-(oxan-2-yl)propan-1-amine
CID 115860150
1-isoquinolin-5-yl-3-(oxolan-2-yl)propan-1-amine
CID 115853074
1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-ethyl-3-(oxolan-2-yl)propan-1-amine
CID 105009645
N-ethyl-1-(oxolan-2-yl)-5-pyridin-2-ylpentan-3-amine
CID 105156934
3-(oxolan-2-yl)-1-(2,3,5,6-tetramethylphenyl)propan-1-amine
CID 65155041
1-(oxolan-2-yl)-4-phenylhexan-3-amine
CID 104993677
1-(2-methylfuran-3-yl)-3-(oxolan-2-yl)propan-1-amine
CID 104789721
3-(oxolan-2-yl)-1-pyridin-2-ylpropan-1-ol
CID 65161757
1-(oxolan-2-yl)pentan-3-amine
CID 62549637

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-2-pyridinyl)-3-(oxolan-2-yl)propan-1-amine?
The IUPAC name of 1-(3-ethyl-2-pyridinyl)-3-(oxolan-2-yl)propan-1-amine (CID 82730277) is 1-(3-ethyl-2-pyridinyl)-3-(oxolan-2-yl)propan-1-amine.
What is the SMILES notation for 1-(3-ethyl-2-pyridinyl)-3-(oxolan-2-yl)propan-1-amine?
The canonical SMILES for 1-(3-ethyl-2-pyridinyl)-3-(oxolan-2-yl)propan-1-amine is CCc1cccnc1C(N)CCC1CCCO1.
What is the InChIKey of 1-(3-ethyl-2-pyridinyl)-3-(oxolan-2-yl)propan-1-amine?
The InChIKey is PJYADPAMYREVCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-2-11-5-3-9-16-14(11)13(15)8-7-12-6-4-10-17-12/h3,5,9,12-13H,2,4,6-8,10,15H2,1H3.
What are the key properties of 1-(3-ethyl-2-pyridinyl)-3-(oxolan-2-yl)propan-1-amine?
1-(3-ethyl-2-pyridinyl)-3-(oxolan-2-yl)propan-1-amine has a molecular weight of 234.34 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-2-pyridinyl)-3-(oxolan-2-yl)propan-1-amine is sourced from PubChem (CID 82730277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).