3-[2-aminoethyl(pentan-3-yl)amino]-1-propylpyrazin-2-one

C14H26N4O — CID 63760807

IUPAC3-[2-aminoethyl(pentan-3-yl)amino]-1-propylpyrazin-2-one
SMILESCCCn1ccnc(N(CCN)C(CC)CC)c1=O
InChIInChI=1S/C14H26N4O/c1-4-9-17-11-8-16-13(14(17)19)18(10-7-15)12(5-2)6-3/h8,11-12H,4-7,9-10,15H2,1-3H3
InChIKeyOTLWLJHNERSVCO-UHFFFAOYSA-N
MW266.39 g/mol
LogP1.61
Rot. Bonds8

About 3-[2-aminoethyl(pentan-3-yl)amino]-1-propylpyrazin-2-one

3-[2-aminoethyl(pentan-3-yl)amino]-1-propylpyrazin-2-one (PubChem CID 63760807) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is 3-[2-aminoethyl(pentan-3-yl)amino]-1-propylpyrazin-2-one.

Molecular Properties

Compound Name3-[2-aminoethyl(pentan-3-yl)amino]-1-propylpyrazin-2-one
PubChem CID63760807
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC Name3-[2-aminoethyl(pentan-3-yl)amino]-1-propylpyrazin-2-one
SMILESCCCn1ccnc(N(CCN)C(CC)CC)c1=O
InChIInChI=1S/C14H26N4O/c1-4-9-17-11-8-16-13(14(17)19)18(10-7-15)12(5-2)6-3/h8,11-12H,4-7,9-10,15H2,1-3H3
InChIKeyOTLWLJHNERSVCO-UHFFFAOYSA-N
XLogP1.61
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 ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[2-aminoethyl(pentan-3-yl)amino]-1-propylpyrazin-2-one?
The IUPAC name of 3-[2-aminoethyl(pentan-3-yl)amino]-1-propylpyrazin-2-one (CID 63760807) is 3-[2-aminoethyl(pentan-3-yl)amino]-1-propylpyrazin-2-one.
What is the SMILES notation for 3-[2-aminoethyl(pentan-3-yl)amino]-1-propylpyrazin-2-one?
The canonical SMILES for 3-[2-aminoethyl(pentan-3-yl)amino]-1-propylpyrazin-2-one is CCCn1ccnc(N(CCN)C(CC)CC)c1=O.
What is the InChIKey of 3-[2-aminoethyl(pentan-3-yl)amino]-1-propylpyrazin-2-one?
The InChIKey is OTLWLJHNERSVCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c1-4-9-17-11-8-16-13(14(17)19)18(10-7-15)12(5-2)6-3/h8,11-12H,4-7,9-10,15H2,1-3H3.
What are the key properties of 3-[2-aminoethyl(pentan-3-yl)amino]-1-propylpyrazin-2-one?
3-[2-aminoethyl(pentan-3-yl)amino]-1-propylpyrazin-2-one has a molecular weight of 266.39 g/mol, XLogP of 1.61, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-aminoethyl(pentan-3-yl)amino]-1-propylpyrazin-2-one is sourced from PubChem (CID 63760807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).