5-[[ethyl(2-ethylbutyl)amino]methyl]-N-propylpyrazin-2-amine

C16H30N4 — CID 103055923

IUPAC5-[[ethyl(2-ethylbutyl)amino]methyl]-N-propylpyrazin-2-amine
SMILESCCCNc1cnc(CN(CC)CC(CC)CC)cn1
InChIInChI=1S/C16H30N4/c1-5-9-17-16-11-18-15(10-19-16)13-20(8-4)12-14(6-2)7-3/h10-11,14H,5-9,12-13H2,1-4H3,(H,17,19)
InChIKeyHRDUTQLSNVIZRO-UHFFFAOYSA-N
MW278.44 g/mol
LogP3.56
Rot. Bonds10

About 5-[[ethyl(2-ethylbutyl)amino]methyl]-N-propylpyrazin-2-amine

5-[[ethyl(2-ethylbutyl)amino]methyl]-N-propylpyrazin-2-amine (PubChem CID 103055923) has the molecular formula C16H30N4 and a molecular weight of 278.44 g/mol. Its IUPAC name is 5-[[ethyl(2-ethylbutyl)amino]methyl]-N-propylpyrazin-2-amine.

Molecular Properties

Compound Name5-[[ethyl(2-ethylbutyl)amino]methyl]-N-propylpyrazin-2-amine
PubChem CID103055923
Molecular FormulaC16H30N4
Molecular Weight278.44 g/mol
Exact Mass278.25
IUPAC Name5-[[ethyl(2-ethylbutyl)amino]methyl]-N-propylpyrazin-2-amine
SMILESCCCNc1cnc(CN(CC)CC(CC)CC)cn1
InChIInChI=1S/C16H30N4/c1-5-9-17-16-11-18-15(10-19-16)13-20(8-4)12-14(6-2)7-3/h10-11,14H,5-9,12-13H2,1-4H3,(H,17,19)
InChIKeyHRDUTQLSNVIZRO-UHFFFAOYSA-N
XLogP3.56
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-N-propylpyrazin-2-amine
CID 103055881
5-[[ethyl(2-ethylbutyl)amino]methyl]pyrazin-2-amine
CID 103055926
5-[[2-ethoxyethyl(ethyl)amino]methyl]-N-propylpyrazin-2-amine
CID 103056461
5-[[ethyl(pyridin-2-ylmethyl)amino]methyl]-N-propylpyrazin-2-amine
CID 103056698
2-[ethyl-[[5-(propylamino)pyrazin-2-yl]methyl]amino]-N-propan-2-ylacetamide
CID 103056028
5-(diethylaminomethyl)-N-ethylpyrazin-2-amine
CID 103055417
1-methoxy-3-[methyl-[[5-(propylamino)pyrazin-2-yl]methyl]amino]propan-2-ol
CID 103056206
N-propyl-5-(propylaminomethyl)pyrazin-2-amine
CID 107380778
2-[methyl-[[5-(propylamino)pyrazin-2-yl]methyl]amino]acetamide
CID 103055637
6-[[ethyl(2-methylbutyl)amino]methyl]-N-propylpyridin-2-amine
CID 79481796
5-[[butyl(cyclopropyl)amino]methyl]-N-propylpyrazin-2-amine
CID 103055861
5-[(3,5-diethylpyrazol-1-yl)methyl]-N-propylpyrazin-2-amine
CID 103057590

Frequently Asked Questions

What is the IUPAC name of 5-[[ethyl(2-ethylbutyl)amino]methyl]-N-propylpyrazin-2-amine?
The IUPAC name of 5-[[ethyl(2-ethylbutyl)amino]methyl]-N-propylpyrazin-2-amine (CID 103055923) is 5-[[ethyl(2-ethylbutyl)amino]methyl]-N-propylpyrazin-2-amine.
What is the SMILES notation for 5-[[ethyl(2-ethylbutyl)amino]methyl]-N-propylpyrazin-2-amine?
The canonical SMILES for 5-[[ethyl(2-ethylbutyl)amino]methyl]-N-propylpyrazin-2-amine is CCCNc1cnc(CN(CC)CC(CC)CC)cn1.
What is the InChIKey of 5-[[ethyl(2-ethylbutyl)amino]methyl]-N-propylpyrazin-2-amine?
The InChIKey is HRDUTQLSNVIZRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4/c1-5-9-17-16-11-18-15(10-19-16)13-20(8-4)12-14(6-2)7-3/h10-11,14H,5-9,12-13H2,1-4H3,(H,17,19).
What are the key properties of 5-[[ethyl(2-ethylbutyl)amino]methyl]-N-propylpyrazin-2-amine?
5-[[ethyl(2-ethylbutyl)amino]methyl]-N-propylpyrazin-2-amine has a molecular weight of 278.44 g/mol, XLogP of 3.56, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[ethyl(2-ethylbutyl)amino]methyl]-N-propylpyrazin-2-amine is sourced from PubChem (CID 103055923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).