5-[[bis(2-ethoxyethyl)amino]methyl]-N-ethylpyrazin-2-amine

C15H28N4O2 — CID 103056772

IUPAC5-[[bis(2-ethoxyethyl)amino]methyl]-N-ethylpyrazin-2-amine
SMILESCCNc1cnc(CN(CCOCC)CCOCC)cn1
InChIInChI=1S/C15H28N4O2/c1-4-16-15-12-17-14(11-18-15)13-19(7-9-20-5-2)8-10-21-6-3/h11-12H,4-10,13H2,1-3H3,(H,16,18)
InChIKeyBZMSQUFQINMNGN-UHFFFAOYSA-N
MW296.42 g/mol
LogP1.78
Rot. Bonds12

About 5-[[bis(2-ethoxyethyl)amino]methyl]-N-ethylpyrazin-2-amine

5-[[bis(2-ethoxyethyl)amino]methyl]-N-ethylpyrazin-2-amine (PubChem CID 103056772) has the molecular formula C15H28N4O2 and a molecular weight of 296.42 g/mol. Its IUPAC name is 5-[[bis(2-ethoxyethyl)amino]methyl]-N-ethylpyrazin-2-amine.

Molecular Properties

Compound Name5-[[bis(2-ethoxyethyl)amino]methyl]-N-ethylpyrazin-2-amine
PubChem CID103056772
Molecular FormulaC15H28N4O2
Molecular Weight296.42 g/mol
Exact Mass296.22
IUPAC Name5-[[bis(2-ethoxyethyl)amino]methyl]-N-ethylpyrazin-2-amine
SMILESCCNc1cnc(CN(CCOCC)CCOCC)cn1
InChIInChI=1S/C15H28N4O2/c1-4-16-15-12-17-14(11-18-15)13-19(7-9-20-5-2)8-10-21-6-3/h11-12H,4-10,13H2,1-3H3,(H,16,18)
InChIKeyBZMSQUFQINMNGN-UHFFFAOYSA-N
XLogP1.78
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-[[2-ethoxyethyl(ethyl)amino]methyl]-N-propylpyrazin-2-amine
CID 103056461
5-(diethylaminomethyl)-N-ethylpyrazin-2-amine
CID 103055417
N-ethyl-5-[[ethyl(methyl)amino]methyl]pyrazin-2-amine
CID 103055585
2-[[5-(ethylamino)pyrazin-2-yl]methyl-methylamino]ethanol
CID 103055749
N-ethyl-5-[[ethyl(1-methoxypropan-2-yl)amino]methyl]pyrazin-2-amine
CID 103055808
6-[[2-ethoxyethyl(methyl)amino]methyl]-N-ethylpyridin-2-amine
CID 81073763
N-ethyl-5-[[methyl(2-methylsulfanylethyl)amino]methyl]pyrazin-2-amine
CID 103056804
5-[(dibutylamino)methyl]-N-methylpyrazin-2-amine
CID 103055563
N-[(5-hydrazinylpyrazin-2-yl)methyl]-3-methoxy-N-(2-methoxyethyl)propan-1-amine
CID 103060605
2-[ethyl-[[5-(ethylamino)pyrazin-2-yl]methyl]amino]-N-propan-2-ylacetamide
CID 103056029
2-[[2-ethoxyethyl(ethyl)amino]methyl]-N-ethyl-6-methylpyrimidin-4-amine
CID 80657016
N-ethyl-5-(2,2,2-trifluoroethoxymethyl)pyrazin-2-amine
CID 103057969

Frequently Asked Questions

What is the IUPAC name of 5-[[bis(2-ethoxyethyl)amino]methyl]-N-ethylpyrazin-2-amine?
The IUPAC name of 5-[[bis(2-ethoxyethyl)amino]methyl]-N-ethylpyrazin-2-amine (CID 103056772) is 5-[[bis(2-ethoxyethyl)amino]methyl]-N-ethylpyrazin-2-amine.
What is the SMILES notation for 5-[[bis(2-ethoxyethyl)amino]methyl]-N-ethylpyrazin-2-amine?
The canonical SMILES for 5-[[bis(2-ethoxyethyl)amino]methyl]-N-ethylpyrazin-2-amine is CCNc1cnc(CN(CCOCC)CCOCC)cn1.
What is the InChIKey of 5-[[bis(2-ethoxyethyl)amino]methyl]-N-ethylpyrazin-2-amine?
The InChIKey is BZMSQUFQINMNGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O2/c1-4-16-15-12-17-14(11-18-15)13-19(7-9-20-5-2)8-10-21-6-3/h11-12H,4-10,13H2,1-3H3,(H,16,18).
What are the key properties of 5-[[bis(2-ethoxyethyl)amino]methyl]-N-ethylpyrazin-2-amine?
5-[[bis(2-ethoxyethyl)amino]methyl]-N-ethylpyrazin-2-amine has a molecular weight of 296.42 g/mol, XLogP of 1.78, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[bis(2-ethoxyethyl)amino]methyl]-N-ethylpyrazin-2-amine is sourced from PubChem (CID 103056772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).