3-(3-methoxypyrazin-2-yl)-N-propan-2-ylpropan-1-amine

C11H19N3O — CID 104516398

IUPAC3-(3-methoxypyrazin-2-yl)-N-propan-2-ylpropan-1-amine
SMILESCOc1nccnc1CCCNC(C)C
InChIInChI=1S/C11H19N3O/c1-9(2)12-6-4-5-10-11(15-3)14-8-7-13-10/h7-9,12H,4-6H2,1-3H3
InChIKeyNRXZFPUYMYULAC-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.42
Rot. Bonds6

About 3-(3-methoxypyrazin-2-yl)-N-propan-2-ylpropan-1-amine

3-(3-methoxypyrazin-2-yl)-N-propan-2-ylpropan-1-amine (PubChem CID 104516398) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 3-(3-methoxypyrazin-2-yl)-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name3-(3-methoxypyrazin-2-yl)-N-propan-2-ylpropan-1-amine
PubChem CID104516398
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name3-(3-methoxypyrazin-2-yl)-N-propan-2-ylpropan-1-amine
SMILESCOc1nccnc1CCCNC(C)C
InChIInChI=1S/C11H19N3O/c1-9(2)12-6-4-5-10-11(15-3)14-8-7-13-10/h7-9,12H,4-6H2,1-3H3
InChIKeyNRXZFPUYMYULAC-UHFFFAOYSA-N
XLogP1.42
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.42
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)-N-propan-2-ylpropan-1-amine?
The IUPAC name of 3-(3-methoxypyrazin-2-yl)-N-propan-2-ylpropan-1-amine (CID 104516398) is 3-(3-methoxypyrazin-2-yl)-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for 3-(3-methoxypyrazin-2-yl)-N-propan-2-ylpropan-1-amine?
The canonical SMILES for 3-(3-methoxypyrazin-2-yl)-N-propan-2-ylpropan-1-amine is COc1nccnc1CCCNC(C)C.
What is the InChIKey of 3-(3-methoxypyrazin-2-yl)-N-propan-2-ylpropan-1-amine?
The InChIKey is NRXZFPUYMYULAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-9(2)12-6-4-5-10-11(15-3)14-8-7-13-10/h7-9,12H,4-6H2,1-3H3.
What are the key properties of 3-(3-methoxypyrazin-2-yl)-N-propan-2-ylpropan-1-amine?
3-(3-methoxypyrazin-2-yl)-N-propan-2-ylpropan-1-amine has a molecular weight of 209.29 g/mol, XLogP of 1.42, 6 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)-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 104516398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).