1-(oxolan-2-yl)-N-(pyridin-2-ylmethyl)propan-1-amine

C13H20N2O — CID 115768543

IUPAC1-(oxolan-2-yl)-N-(pyridin-2-ylmethyl)propan-1-amine
SMILESCCC(NCc1ccccn1)C1CCCO1
InChIInChI=1S/C13H20N2O/c1-2-12(13-7-5-9-16-13)15-10-11-6-3-4-8-14-11/h3-4,6,8,12-13,15H,2,5,7,9-10H2,1H3
InChIKeyZIQYSQPJDGNPNL-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.13
Rot. Bonds5

About 1-(oxolan-2-yl)-N-(pyridin-2-ylmethyl)propan-1-amine

1-(oxolan-2-yl)-N-(pyridin-2-ylmethyl)propan-1-amine (PubChem CID 115768543) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 1-(oxolan-2-yl)-N-(pyridin-2-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name1-(oxolan-2-yl)-N-(pyridin-2-ylmethyl)propan-1-amine
PubChem CID115768543
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name1-(oxolan-2-yl)-N-(pyridin-2-ylmethyl)propan-1-amine
SMILESCCC(NCc1ccccn1)C1CCCO1
InChIInChI=1S/C13H20N2O/c1-2-12(13-7-5-9-16-13)15-10-11-6-3-4-8-14-11/h3-4,6,8,12-13,15H,2,5,7,9-10H2,1H3
InChIKeyZIQYSQPJDGNPNL-UHFFFAOYSA-N
XLogP2.13
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-2-yl)-N-(pyridin-2-ylmethyl)propan-1-amine?
The IUPAC name of 1-(oxolan-2-yl)-N-(pyridin-2-ylmethyl)propan-1-amine (CID 115768543) is 1-(oxolan-2-yl)-N-(pyridin-2-ylmethyl)propan-1-amine.
What is the SMILES notation for 1-(oxolan-2-yl)-N-(pyridin-2-ylmethyl)propan-1-amine?
The canonical SMILES for 1-(oxolan-2-yl)-N-(pyridin-2-ylmethyl)propan-1-amine is CCC(NCc1ccccn1)C1CCCO1.
What is the InChIKey of 1-(oxolan-2-yl)-N-(pyridin-2-ylmethyl)propan-1-amine?
The InChIKey is ZIQYSQPJDGNPNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-2-12(13-7-5-9-16-13)15-10-11-6-3-4-8-14-11/h3-4,6,8,12-13,15H,2,5,7,9-10H2,1H3.
What are the key properties of 1-(oxolan-2-yl)-N-(pyridin-2-ylmethyl)propan-1-amine?
1-(oxolan-2-yl)-N-(pyridin-2-ylmethyl)propan-1-amine has a molecular weight of 220.32 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-2-yl)-N-(pyridin-2-ylmethyl)propan-1-amine is sourced from PubChem (CID 115768543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).