3-(aminomethyl)-N-butan-2-yl-N-ethylpyrazin-2-amine

C11H20N4 — CID 62671629

IUPAC3-(aminomethyl)-N-butan-2-yl-N-ethylpyrazin-2-amine
SMILESCCC(C)N(CC)c1nccnc1CN
InChIInChI=1S/C11H20N4/c1-4-9(3)15(5-2)11-10(8-12)13-6-7-14-11/h6-7,9H,4-5,8,12H2,1-3H3
InChIKeyCIXFKHAXXWHFAP-UHFFFAOYSA-N
MW208.31 g/mol
LogP1.56
Rot. Bonds5

About 3-(aminomethyl)-N-butan-2-yl-N-ethylpyrazin-2-amine

3-(aminomethyl)-N-butan-2-yl-N-ethylpyrazin-2-amine (PubChem CID 62671629) has the molecular formula C11H20N4 and a molecular weight of 208.31 g/mol. Its IUPAC name is 3-(aminomethyl)-N-butan-2-yl-N-ethylpyrazin-2-amine.

Molecular Properties

Compound Name3-(aminomethyl)-N-butan-2-yl-N-ethylpyrazin-2-amine
PubChem CID62671629
Molecular FormulaC11H20N4
Molecular Weight208.31 g/mol
Exact Mass208.17
IUPAC Name3-(aminomethyl)-N-butan-2-yl-N-ethylpyrazin-2-amine
SMILESCCC(C)N(CC)c1nccnc1CN
InChIInChI=1S/C11H20N4/c1-4-9(3)15(5-2)11-10(8-12)13-6-7-14-11/h6-7,9H,4-5,8,12H2,1-3H3
InChIKeyCIXFKHAXXWHFAP-UHFFFAOYSA-N
XLogP1.56
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-butan-2-yl-N-ethylpyrazin-2-amine?
The IUPAC name of 3-(aminomethyl)-N-butan-2-yl-N-ethylpyrazin-2-amine (CID 62671629) is 3-(aminomethyl)-N-butan-2-yl-N-ethylpyrazin-2-amine.
What is the SMILES notation for 3-(aminomethyl)-N-butan-2-yl-N-ethylpyrazin-2-amine?
The canonical SMILES for 3-(aminomethyl)-N-butan-2-yl-N-ethylpyrazin-2-amine is CCC(C)N(CC)c1nccnc1CN.
What is the InChIKey of 3-(aminomethyl)-N-butan-2-yl-N-ethylpyrazin-2-amine?
The InChIKey is CIXFKHAXXWHFAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4/c1-4-9(3)15(5-2)11-10(8-12)13-6-7-14-11/h6-7,9H,4-5,8,12H2,1-3H3.
What are the key properties of 3-(aminomethyl)-N-butan-2-yl-N-ethylpyrazin-2-amine?
3-(aminomethyl)-N-butan-2-yl-N-ethylpyrazin-2-amine has a molecular weight of 208.31 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-butan-2-yl-N-ethylpyrazin-2-amine is sourced from PubChem (CID 62671629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).