3-(2-methoxyethoxy)-N-propyl-1-pyrazin-2-ylpropan-1-amine

C13H23N3O2 — CID 113236356

IUPAC3-(2-methoxyethoxy)-N-propyl-1-pyrazin-2-ylpropan-1-amine
SMILESCCCNC(CCOCCOC)c1cnccn1
InChIInChI=1S/C13H23N3O2/c1-3-5-15-12(4-8-18-10-9-17-2)13-11-14-6-7-16-13/h6-7,11-12,15H,3-5,8-10H2,1-2H3
InChIKeyMKKLNYNZAVQISY-UHFFFAOYSA-N
MW253.35 g/mol
LogP1.57
Rot. Bonds10

About 3-(2-methoxyethoxy)-N-propyl-1-pyrazin-2-ylpropan-1-amine

3-(2-methoxyethoxy)-N-propyl-1-pyrazin-2-ylpropan-1-amine (PubChem CID 113236356) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 3-(2-methoxyethoxy)-N-propyl-1-pyrazin-2-ylpropan-1-amine.

Molecular Properties

Compound Name3-(2-methoxyethoxy)-N-propyl-1-pyrazin-2-ylpropan-1-amine
PubChem CID113236356
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name3-(2-methoxyethoxy)-N-propyl-1-pyrazin-2-ylpropan-1-amine
SMILESCCCNC(CCOCCOC)c1cnccn1
InChIInChI=1S/C13H23N3O2/c1-3-5-15-12(4-8-18-10-9-17-2)13-11-14-6-7-16-13/h6-7,11-12,15H,3-5,8-10H2,1-2H3
InChIKeyMKKLNYNZAVQISY-UHFFFAOYSA-N
XLogP1.57
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethoxy)-N-propyl-1-pyrazin-2-ylpropan-1-amine?
The IUPAC name of 3-(2-methoxyethoxy)-N-propyl-1-pyrazin-2-ylpropan-1-amine (CID 113236356) is 3-(2-methoxyethoxy)-N-propyl-1-pyrazin-2-ylpropan-1-amine.
What is the SMILES notation for 3-(2-methoxyethoxy)-N-propyl-1-pyrazin-2-ylpropan-1-amine?
The canonical SMILES for 3-(2-methoxyethoxy)-N-propyl-1-pyrazin-2-ylpropan-1-amine is CCCNC(CCOCCOC)c1cnccn1.
What is the InChIKey of 3-(2-methoxyethoxy)-N-propyl-1-pyrazin-2-ylpropan-1-amine?
The InChIKey is MKKLNYNZAVQISY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-3-5-15-12(4-8-18-10-9-17-2)13-11-14-6-7-16-13/h6-7,11-12,15H,3-5,8-10H2,1-2H3.
What are the key properties of 3-(2-methoxyethoxy)-N-propyl-1-pyrazin-2-ylpropan-1-amine?
3-(2-methoxyethoxy)-N-propyl-1-pyrazin-2-ylpropan-1-amine has a molecular weight of 253.35 g/mol, XLogP of 1.57, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethoxy)-N-propyl-1-pyrazin-2-ylpropan-1-amine is sourced from PubChem (CID 113236356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).