N-ethyl-5-(oxan-4-yloxymethyl)pyridin-2-amine

C13H20N2O2 — CID 62189770

IUPACN-ethyl-5-(oxan-4-yloxymethyl)pyridin-2-amine
SMILESCCNc1ccc(COC2CCOCC2)cn1
InChIInChI=1S/C13H20N2O2/c1-2-14-13-4-3-11(9-15-13)10-17-12-5-7-16-8-6-12/h3-4,9,12H,2,5-8,10H2,1H3,(H,14,15)
InChIKeyLWFNQZHXJIEBRD-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.21
Rot. Bonds5

About N-ethyl-5-(oxan-4-yloxymethyl)pyridin-2-amine

N-ethyl-5-(oxan-4-yloxymethyl)pyridin-2-amine (PubChem CID 62189770) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is N-ethyl-5-(oxan-4-yloxymethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-ethyl-5-(oxan-4-yloxymethyl)pyridin-2-amine
PubChem CID62189770
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC NameN-ethyl-5-(oxan-4-yloxymethyl)pyridin-2-amine
SMILESCCNc1ccc(COC2CCOCC2)cn1
InChIInChI=1S/C13H20N2O2/c1-2-14-13-4-3-11(9-15-13)10-17-12-5-7-16-8-6-12/h3-4,9,12H,2,5-8,10H2,1H3,(H,14,15)
InChIKeyLWFNQZHXJIEBRD-UHFFFAOYSA-N
XLogP2.21
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-(oxan-4-yloxymethyl)pyridin-2-amine?
The IUPAC name of N-ethyl-5-(oxan-4-yloxymethyl)pyridin-2-amine (CID 62189770) is N-ethyl-5-(oxan-4-yloxymethyl)pyridin-2-amine.
What is the SMILES notation for N-ethyl-5-(oxan-4-yloxymethyl)pyridin-2-amine?
The canonical SMILES for N-ethyl-5-(oxan-4-yloxymethyl)pyridin-2-amine is CCNc1ccc(COC2CCOCC2)cn1.
What is the InChIKey of N-ethyl-5-(oxan-4-yloxymethyl)pyridin-2-amine?
The InChIKey is LWFNQZHXJIEBRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-2-14-13-4-3-11(9-15-13)10-17-12-5-7-16-8-6-12/h3-4,9,12H,2,5-8,10H2,1H3,(H,14,15).
What are the key properties of N-ethyl-5-(oxan-4-yloxymethyl)pyridin-2-amine?
N-ethyl-5-(oxan-4-yloxymethyl)pyridin-2-amine has a molecular weight of 236.31 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-(oxan-4-yloxymethyl)pyridin-2-amine is sourced from PubChem (CID 62189770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).