3-(oxolan-2-yl)-1-pyridin-3-ylpropan-1-amine

C12H18N2O — CID 65167076

IUPAC3-(oxolan-2-yl)-1-pyridin-3-ylpropan-1-amine
SMILESNC(CCC1CCCO1)c1cccnc1
InChIInChI=1S/C12H18N2O/c13-12(10-3-1-7-14-9-10)6-5-11-4-2-8-15-11/h1,3,7,9,11-12H,2,4-6,8,13H2
InChIKeyDMNRWEYCFLLCKN-UHFFFAOYSA-N
MW206.29 g/mol
LogP2.04
Rot. Bonds4

About 3-(oxolan-2-yl)-1-pyridin-3-ylpropan-1-amine

3-(oxolan-2-yl)-1-pyridin-3-ylpropan-1-amine (PubChem CID 65167076) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 3-(oxolan-2-yl)-1-pyridin-3-ylpropan-1-amine.

Molecular Properties

Compound Name3-(oxolan-2-yl)-1-pyridin-3-ylpropan-1-amine
PubChem CID65167076
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name3-(oxolan-2-yl)-1-pyridin-3-ylpropan-1-amine
SMILESNC(CCC1CCCO1)c1cccnc1
InChIInChI=1S/C12H18N2O/c13-12(10-3-1-7-14-9-10)6-5-11-4-2-8-15-11/h1,3,7,9,11-12H,2,4-6,8,13H2
InChIKeyDMNRWEYCFLLCKN-UHFFFAOYSA-N
XLogP2.04
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 ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(oxolan-2-yl)-1-pyridin-3-ylpropan-1-amine?
The IUPAC name of 3-(oxolan-2-yl)-1-pyridin-3-ylpropan-1-amine (CID 65167076) is 3-(oxolan-2-yl)-1-pyridin-3-ylpropan-1-amine.
What is the SMILES notation for 3-(oxolan-2-yl)-1-pyridin-3-ylpropan-1-amine?
The canonical SMILES for 3-(oxolan-2-yl)-1-pyridin-3-ylpropan-1-amine is NC(CCC1CCCO1)c1cccnc1.
What is the InChIKey of 3-(oxolan-2-yl)-1-pyridin-3-ylpropan-1-amine?
The InChIKey is DMNRWEYCFLLCKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c13-12(10-3-1-7-14-9-10)6-5-11-4-2-8-15-11/h1,3,7,9,11-12H,2,4-6,8,13H2.
What are the key properties of 3-(oxolan-2-yl)-1-pyridin-3-ylpropan-1-amine?
3-(oxolan-2-yl)-1-pyridin-3-ylpropan-1-amine has a molecular weight of 206.29 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxolan-2-yl)-1-pyridin-3-ylpropan-1-amine is sourced from PubChem (CID 65167076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).