N-[[6-(2-propan-2-yloxyethoxy)pyrazin-2-yl]methyl]ethanamine

C12H21N3O2 — CID 66450004

IUPACN-[[6-(2-propan-2-yloxyethoxy)pyrazin-2-yl]methyl]ethanamine
SMILESCCNCc1cncc(OCCOC(C)C)n1
InChIInChI=1S/C12H21N3O2/c1-4-13-7-11-8-14-9-12(15-11)17-6-5-16-10(2)3/h8-10,13H,4-7H2,1-3H3
InChIKeyXDYCXSMTBPDWMG-UHFFFAOYSA-N
MW239.32 g/mol
LogP1.39
Rot. Bonds8

About N-[[6-(2-propan-2-yloxyethoxy)pyrazin-2-yl]methyl]ethanamine

N-[[6-(2-propan-2-yloxyethoxy)pyrazin-2-yl]methyl]ethanamine (PubChem CID 66450004) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is N-[[6-(2-propan-2-yloxyethoxy)pyrazin-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[6-(2-propan-2-yloxyethoxy)pyrazin-2-yl]methyl]ethanamine
PubChem CID66450004
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC NameN-[[6-(2-propan-2-yloxyethoxy)pyrazin-2-yl]methyl]ethanamine
SMILESCCNCc1cncc(OCCOC(C)C)n1
InChIInChI=1S/C12H21N3O2/c1-4-13-7-11-8-14-9-12(15-11)17-6-5-16-10(2)3/h8-10,13H,4-7H2,1-3H3
InChIKeyXDYCXSMTBPDWMG-UHFFFAOYSA-N
XLogP1.39
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.39
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 N-[[6-(2-propan-2-yloxyethoxy)pyrazin-2-yl]methyl]ethanamine?
The IUPAC name of N-[[6-(2-propan-2-yloxyethoxy)pyrazin-2-yl]methyl]ethanamine (CID 66450004) is N-[[6-(2-propan-2-yloxyethoxy)pyrazin-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[6-(2-propan-2-yloxyethoxy)pyrazin-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[6-(2-propan-2-yloxyethoxy)pyrazin-2-yl]methyl]ethanamine is CCNCc1cncc(OCCOC(C)C)n1.
What is the InChIKey of N-[[6-(2-propan-2-yloxyethoxy)pyrazin-2-yl]methyl]ethanamine?
The InChIKey is XDYCXSMTBPDWMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-4-13-7-11-8-14-9-12(15-11)17-6-5-16-10(2)3/h8-10,13H,4-7H2,1-3H3.
What are the key properties of N-[[6-(2-propan-2-yloxyethoxy)pyrazin-2-yl]methyl]ethanamine?
N-[[6-(2-propan-2-yloxyethoxy)pyrazin-2-yl]methyl]ethanamine has a molecular weight of 239.32 g/mol, XLogP of 1.39, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(2-propan-2-yloxyethoxy)pyrazin-2-yl]methyl]ethanamine is sourced from PubChem (CID 66450004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).