2-N-(2-butoxyethyl)-6-N-ethylpyrazine-2,6-diamine

C12H22N4O — CID 78918192

IUPAC2-N-(2-butoxyethyl)-6-N-ethylpyrazine-2,6-diamine
SMILESCCCCOCCNc1cncc(NCC)n1
InChIInChI=1S/C12H22N4O/c1-3-5-7-17-8-6-15-12-10-13-9-11(16-12)14-4-2/h9-10H,3-8H2,1-2H3,(H2,14,15,16)
InChIKeyBKEBCBXLPPIUNO-UHFFFAOYSA-N
MW238.33 g/mol
LogP2.14
Rot. Bonds9

About 2-N-(2-butoxyethyl)-6-N-ethylpyrazine-2,6-diamine

2-N-(2-butoxyethyl)-6-N-ethylpyrazine-2,6-diamine (PubChem CID 78918192) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-N-(2-butoxyethyl)-6-N-ethylpyrazine-2,6-diamine.

Molecular Properties

Compound Name2-N-(2-butoxyethyl)-6-N-ethylpyrazine-2,6-diamine
PubChem CID78918192
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name2-N-(2-butoxyethyl)-6-N-ethylpyrazine-2,6-diamine
SMILESCCCCOCCNc1cncc(NCC)n1
InChIInChI=1S/C12H22N4O/c1-3-5-7-17-8-6-15-12-10-13-9-11(16-12)14-4-2/h9-10H,3-8H2,1-2H3,(H2,14,15,16)
InChIKeyBKEBCBXLPPIUNO-UHFFFAOYSA-N
XLogP2.14
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.14
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

6-butoxy-N-ethylpyrazin-2-amine
CID 80865504
N-(2-butoxyethyl)-5,6-dimethylpyrazin-2-amine
CID 114475476
N-(3-ethoxypropyl)-6-hydrazinylpyrazin-2-amine
CID 80942888
2-N-(2-propan-2-yloxyethyl)-6-N-propylpyrazine-2,6-diamine
CID 104766984
6-N-ethyl-2-N-(3-methylbutyl)pyrazine-2,6-diamine
CID 78917989
3-[[6-(ethylamino)pyrazin-2-yl]amino]propanenitrile
CID 126986977
2-N-(2-cyclohexyloxyethyl)-6-N-propylpyrazine-2,6-diamine
CID 80846576
2-N-ethylpyrazine-2,6-diamine
CID 69290778
6-[2-(3-methoxypropoxy)ethoxy]-N-propylpyrazin-2-amine
CID 103176484
N-(2-butoxyethyl)-4,6-dimethylpyrimidin-2-amine
CID 61175879
2-N-(4-propan-2-yloxybutyl)-6-N-propylpyrazine-2,6-diamine
CID 106014673
N-(2-butoxyethyl)pyrido[2,3-b]pyrazin-6-amine
CID 78988496

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-butoxyethyl)-6-N-ethylpyrazine-2,6-diamine?
The IUPAC name of 2-N-(2-butoxyethyl)-6-N-ethylpyrazine-2,6-diamine (CID 78918192) is 2-N-(2-butoxyethyl)-6-N-ethylpyrazine-2,6-diamine.
What is the SMILES notation for 2-N-(2-butoxyethyl)-6-N-ethylpyrazine-2,6-diamine?
The canonical SMILES for 2-N-(2-butoxyethyl)-6-N-ethylpyrazine-2,6-diamine is CCCCOCCNc1cncc(NCC)n1.
What is the InChIKey of 2-N-(2-butoxyethyl)-6-N-ethylpyrazine-2,6-diamine?
The InChIKey is BKEBCBXLPPIUNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-3-5-7-17-8-6-15-12-10-13-9-11(16-12)14-4-2/h9-10H,3-8H2,1-2H3,(H2,14,15,16).
What are the key properties of 2-N-(2-butoxyethyl)-6-N-ethylpyrazine-2,6-diamine?
2-N-(2-butoxyethyl)-6-N-ethylpyrazine-2,6-diamine has a molecular weight of 238.33 g/mol, XLogP of 2.14, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-butoxyethyl)-6-N-ethylpyrazine-2,6-diamine is sourced from PubChem (CID 78918192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).