3-(1-ethoxypropan-2-yloxymethyl)-N-ethylpyridin-2-amine

C13H22N2O2 — CID 103490226

IUPAC3-(1-ethoxypropan-2-yloxymethyl)-N-ethylpyridin-2-amine
SMILESCCNc1ncccc1COC(C)COCC
InChIInChI=1S/C13H22N2O2/c1-4-14-13-12(7-6-8-15-13)10-17-11(3)9-16-5-2/h6-8,11H,4-5,9-10H2,1-3H3,(H,14,15)
InChIKeyPDGYPXBKJRMQPI-UHFFFAOYSA-N
MW238.33 g/mol
LogP2.45
Rot. Bonds8

About 3-(1-ethoxypropan-2-yloxymethyl)-N-ethylpyridin-2-amine

3-(1-ethoxypropan-2-yloxymethyl)-N-ethylpyridin-2-amine (PubChem CID 103490226) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 3-(1-ethoxypropan-2-yloxymethyl)-N-ethylpyridin-2-amine.

Molecular Properties

Compound Name3-(1-ethoxypropan-2-yloxymethyl)-N-ethylpyridin-2-amine
PubChem CID103490226
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name3-(1-ethoxypropan-2-yloxymethyl)-N-ethylpyridin-2-amine
SMILESCCNc1ncccc1COC(C)COCC
InChIInChI=1S/C13H22N2O2/c1-4-14-13-12(7-6-8-15-13)10-17-11(3)9-16-5-2/h6-8,11H,4-5,9-10H2,1-3H3,(H,14,15)
InChIKeyPDGYPXBKJRMQPI-UHFFFAOYSA-N
XLogP2.45
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1-ethoxypropan-2-yloxymethyl)-N-ethylpyridin-2-amine?
The IUPAC name of 3-(1-ethoxypropan-2-yloxymethyl)-N-ethylpyridin-2-amine (CID 103490226) is 3-(1-ethoxypropan-2-yloxymethyl)-N-ethylpyridin-2-amine.
What is the SMILES notation for 3-(1-ethoxypropan-2-yloxymethyl)-N-ethylpyridin-2-amine?
The canonical SMILES for 3-(1-ethoxypropan-2-yloxymethyl)-N-ethylpyridin-2-amine is CCNc1ncccc1COC(C)COCC.
What is the InChIKey of 3-(1-ethoxypropan-2-yloxymethyl)-N-ethylpyridin-2-amine?
The InChIKey is PDGYPXBKJRMQPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-4-14-13-12(7-6-8-15-13)10-17-11(3)9-16-5-2/h6-8,11H,4-5,9-10H2,1-3H3,(H,14,15).
What are the key properties of 3-(1-ethoxypropan-2-yloxymethyl)-N-ethylpyridin-2-amine?
3-(1-ethoxypropan-2-yloxymethyl)-N-ethylpyridin-2-amine has a molecular weight of 238.33 g/mol, XLogP of 2.45, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethoxypropan-2-yloxymethyl)-N-ethylpyridin-2-amine is sourced from PubChem (CID 103490226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).