3-[2-aminoethyl(butyl)amino]-1-(2-methylpropyl)pyrazin-2-one

C14H26N4O — CID 62928195

IUPAC3-[2-aminoethyl(butyl)amino]-1-(2-methylpropyl)pyrazin-2-one
SMILESCCCCN(CCN)c1nccn(CC(C)C)c1=O
InChIInChI=1S/C14H26N4O/c1-4-5-8-17(9-6-15)13-14(19)18(10-7-16-13)11-12(2)3/h7,10,12H,4-6,8-9,11,15H2,1-3H3
InChIKeyVVSAUDUIEHIIKG-UHFFFAOYSA-N
MW266.39 g/mol
LogP1.46
Rot. Bonds8

About 3-[2-aminoethyl(butyl)amino]-1-(2-methylpropyl)pyrazin-2-one

3-[2-aminoethyl(butyl)amino]-1-(2-methylpropyl)pyrazin-2-one (PubChem CID 62928195) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is 3-[2-aminoethyl(butyl)amino]-1-(2-methylpropyl)pyrazin-2-one.

Molecular Properties

Compound Name3-[2-aminoethyl(butyl)amino]-1-(2-methylpropyl)pyrazin-2-one
PubChem CID62928195
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC Name3-[2-aminoethyl(butyl)amino]-1-(2-methylpropyl)pyrazin-2-one
SMILESCCCCN(CCN)c1nccn(CC(C)C)c1=O
InChIInChI=1S/C14H26N4O/c1-4-5-8-17(9-6-15)13-14(19)18(10-7-16-13)11-12(2)3/h7,10,12H,4-6,8-9,11,15H2,1-3H3
InChIKeyVVSAUDUIEHIIKG-UHFFFAOYSA-N
XLogP1.46
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[2-aminoethyl(butyl)amino]-1-(2-methylpropyl)pyrazin-2-one?
The IUPAC name of 3-[2-aminoethyl(butyl)amino]-1-(2-methylpropyl)pyrazin-2-one (CID 62928195) is 3-[2-aminoethyl(butyl)amino]-1-(2-methylpropyl)pyrazin-2-one.
What is the SMILES notation for 3-[2-aminoethyl(butyl)amino]-1-(2-methylpropyl)pyrazin-2-one?
The canonical SMILES for 3-[2-aminoethyl(butyl)amino]-1-(2-methylpropyl)pyrazin-2-one is CCCCN(CCN)c1nccn(CC(C)C)c1=O.
What is the InChIKey of 3-[2-aminoethyl(butyl)amino]-1-(2-methylpropyl)pyrazin-2-one?
The InChIKey is VVSAUDUIEHIIKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c1-4-5-8-17(9-6-15)13-14(19)18(10-7-16-13)11-12(2)3/h7,10,12H,4-6,8-9,11,15H2,1-3H3.
What are the key properties of 3-[2-aminoethyl(butyl)amino]-1-(2-methylpropyl)pyrazin-2-one?
3-[2-aminoethyl(butyl)amino]-1-(2-methylpropyl)pyrazin-2-one has a molecular weight of 266.39 g/mol, XLogP of 1.46, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-aminoethyl(butyl)amino]-1-(2-methylpropyl)pyrazin-2-one is sourced from PubChem (CID 62928195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).