N'-(6-ethoxypyrazin-2-yl)pentane-1,5-diamine

C11H20N4O — CID 107323521

IUPACN'-(6-ethoxypyrazin-2-yl)pentane-1,5-diamine
SMILESCCOc1cncc(NCCCCCN)n1
InChIInChI=1S/C11H20N4O/c1-2-16-11-9-13-8-10(15-11)14-7-5-3-4-6-12/h8-9H,2-7,12H2,1H3,(H,14,15)
InChIKeyVALSWNIDAFTQPH-UHFFFAOYSA-N
MW224.31 g/mol
LogP1.42
Rot. Bonds8

About N'-(6-ethoxypyrazin-2-yl)pentane-1,5-diamine

N'-(6-ethoxypyrazin-2-yl)pentane-1,5-diamine (PubChem CID 107323521) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is N'-(6-ethoxypyrazin-2-yl)pentane-1,5-diamine.

Molecular Properties

Compound NameN'-(6-ethoxypyrazin-2-yl)pentane-1,5-diamine
PubChem CID107323521
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC NameN'-(6-ethoxypyrazin-2-yl)pentane-1,5-diamine
SMILESCCOc1cncc(NCCCCCN)n1
InChIInChI=1S/C11H20N4O/c1-2-16-11-9-13-8-10(15-11)14-7-5-3-4-6-12/h8-9H,2-7,12H2,1H3,(H,14,15)
InChIKeyVALSWNIDAFTQPH-UHFFFAOYSA-N
XLogP1.42
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(2-aminoethoxy)propyl]-6-ethoxypyrazin-2-amine
CID 106308549
N-(6-ethoxypyrazin-2-yl)-2,2-dimethylpentane-1,5-diamine
CID 114149316
3-N-(6-ethoxypyrazin-2-yl)butane-1,3-diamine
CID 83179069
(6-ethoxypyrazin-2-yl)thiourea
CID 90714777
N'-pyrazin-2-ylhexane-1,6-diamine
CID 107845150
6-butoxy-N-ethylpyrazin-2-amine
CID 80865504
6-(4-ethoxyphenoxy)-N-propylpyrazin-2-amine
CID 80862814
(6-ethoxypyrazin-2-yl)methanamine
CID 66450583
N'-(5-methylpyridazin-3-yl)hexane-1,6-diamine
CID 107845062
N'-(5-methylpyridazin-3-yl)pentane-1,5-diamine
CID 107323443
2-N-(6-ethoxypyrazin-2-yl)-3-methoxypropane-1,2-diamine
CID 106182379
(2R,4R)-5-[(6-ethoxypyrazin-2-yl)amino]-4-methylpentan-2-ol
CID 124741988

Frequently Asked Questions

What is the IUPAC name of N'-(6-ethoxypyrazin-2-yl)pentane-1,5-diamine?
The IUPAC name of N'-(6-ethoxypyrazin-2-yl)pentane-1,5-diamine (CID 107323521) is N'-(6-ethoxypyrazin-2-yl)pentane-1,5-diamine.
What is the SMILES notation for N'-(6-ethoxypyrazin-2-yl)pentane-1,5-diamine?
The canonical SMILES for N'-(6-ethoxypyrazin-2-yl)pentane-1,5-diamine is CCOc1cncc(NCCCCCN)n1.
What is the InChIKey of N'-(6-ethoxypyrazin-2-yl)pentane-1,5-diamine?
The InChIKey is VALSWNIDAFTQPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-2-16-11-9-13-8-10(15-11)14-7-5-3-4-6-12/h8-9H,2-7,12H2,1H3,(H,14,15).
What are the key properties of N'-(6-ethoxypyrazin-2-yl)pentane-1,5-diamine?
N'-(6-ethoxypyrazin-2-yl)pentane-1,5-diamine has a molecular weight of 224.31 g/mol, XLogP of 1.42, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(6-ethoxypyrazin-2-yl)pentane-1,5-diamine is sourced from PubChem (CID 107323521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).