3-(3-methoxypyrazin-2-yl)-3-methyl-N-propylbutan-1-amine

C13H23N3O — CID 104516794

IUPAC3-(3-methoxypyrazin-2-yl)-3-methyl-N-propylbutan-1-amine
SMILESCCCNCCC(C)(C)c1nccnc1OC
InChIInChI=1S/C13H23N3O/c1-5-7-14-8-6-13(2,3)11-12(17-4)16-10-9-15-11/h9-10,14H,5-8H2,1-4H3
InChIKeyKBKXHEWRIMISJH-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.15
Rot. Bonds7

About 3-(3-methoxypyrazin-2-yl)-3-methyl-N-propylbutan-1-amine

3-(3-methoxypyrazin-2-yl)-3-methyl-N-propylbutan-1-amine (PubChem CID 104516794) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 3-(3-methoxypyrazin-2-yl)-3-methyl-N-propylbutan-1-amine.

Molecular Properties

Compound Name3-(3-methoxypyrazin-2-yl)-3-methyl-N-propylbutan-1-amine
PubChem CID104516794
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name3-(3-methoxypyrazin-2-yl)-3-methyl-N-propylbutan-1-amine
SMILESCCCNCCC(C)(C)c1nccnc1OC
InChIInChI=1S/C13H23N3O/c1-5-7-14-8-6-13(2,3)11-12(17-4)16-10-9-15-11/h9-10,14H,5-8H2,1-4H3
InChIKeyKBKXHEWRIMISJH-UHFFFAOYSA-N
XLogP2.15
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(3-methoxypyrazin-2-yl)-3-methyl-N-propylbutan-1-amine?
The IUPAC name of 3-(3-methoxypyrazin-2-yl)-3-methyl-N-propylbutan-1-amine (CID 104516794) is 3-(3-methoxypyrazin-2-yl)-3-methyl-N-propylbutan-1-amine.
What is the SMILES notation for 3-(3-methoxypyrazin-2-yl)-3-methyl-N-propylbutan-1-amine?
The canonical SMILES for 3-(3-methoxypyrazin-2-yl)-3-methyl-N-propylbutan-1-amine is CCCNCCC(C)(C)c1nccnc1OC.
What is the InChIKey of 3-(3-methoxypyrazin-2-yl)-3-methyl-N-propylbutan-1-amine?
The InChIKey is KBKXHEWRIMISJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-5-7-14-8-6-13(2,3)11-12(17-4)16-10-9-15-11/h9-10,14H,5-8H2,1-4H3.
What are the key properties of 3-(3-methoxypyrazin-2-yl)-3-methyl-N-propylbutan-1-amine?
3-(3-methoxypyrazin-2-yl)-3-methyl-N-propylbutan-1-amine has a molecular weight of 237.35 g/mol, XLogP of 2.15, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxypyrazin-2-yl)-3-methyl-N-propylbutan-1-amine is sourced from PubChem (CID 104516794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).