3-[2-(3-methylbutoxy)ethylamino]-1-propylpyrazin-2-one

C14H25N3O2 — CID 62927925

IUPAC3-[2-(3-methylbutoxy)ethylamino]-1-propylpyrazin-2-one
SMILESCCCn1ccnc(NCCOCCC(C)C)c1=O
InChIInChI=1S/C14H25N3O2/c1-4-8-17-9-6-15-13(14(17)18)16-7-11-19-10-5-12(2)3/h6,9,12H,4-5,7-8,10-11H2,1-3H3,(H,15,16)
InChIKeyAWSIBNLJRPVZJI-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.13
Rot. Bonds9

About 3-[2-(3-methylbutoxy)ethylamino]-1-propylpyrazin-2-one

3-[2-(3-methylbutoxy)ethylamino]-1-propylpyrazin-2-one (PubChem CID 62927925) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is 3-[2-(3-methylbutoxy)ethylamino]-1-propylpyrazin-2-one.

Molecular Properties

Compound Name3-[2-(3-methylbutoxy)ethylamino]-1-propylpyrazin-2-one
PubChem CID62927925
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name3-[2-(3-methylbutoxy)ethylamino]-1-propylpyrazin-2-one
SMILESCCCn1ccnc(NCCOCCC(C)C)c1=O
InChIInChI=1S/C14H25N3O2/c1-4-8-17-9-6-15-13(14(17)18)16-7-11-19-10-5-12(2)3/h6,9,12H,4-5,7-8,10-11H2,1-3H3,(H,15,16)
InChIKeyAWSIBNLJRPVZJI-UHFFFAOYSA-N
XLogP2.13
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-tert-butyl-3-[2-(3-methylbutoxy)ethylamino]pyrazin-2-one
CID 62928104
3-(4-chloropentylamino)-1-propylpyrazin-2-one
CID 106124558
3-[3-(2-chloroethoxy)propylamino]-1-propylpyrazin-2-one
CID 114171266
2-methyl-4-[(3-oxo-4-propylpyrazin-2-yl)amino]butanoic acid
CID 80539578
1-ethyl-3-(2-propan-2-yloxyethylamino)pyrazin-2-one
CID 104577036
3-(3-chloropropylamino)-1-propylpyrazin-2-one
CID 65030283
3-(5-chloropentylamino)-1-propylpyrazin-2-one
CID 107320514
3-[2-[2-methoxyethyl(methyl)amino]ethylamino]-1-propylpyrazin-2-one
CID 55156809
1-(2-methylpropyl)-3-(pentylamino)pyrazin-2-one
CID 62940519
3-chloro-1-[2-(3-methylbutoxy)ethyl]pyrazin-2-one
CID 114561680
4-[(3-oxo-4-propylpyrazin-2-yl)amino]butanamide
CID 62940196
2-[(3-oxo-4-propylpyrazin-2-yl)amino]ethylurea
CID 83113430

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-methylbutoxy)ethylamino]-1-propylpyrazin-2-one?
The IUPAC name of 3-[2-(3-methylbutoxy)ethylamino]-1-propylpyrazin-2-one (CID 62927925) is 3-[2-(3-methylbutoxy)ethylamino]-1-propylpyrazin-2-one.
What is the SMILES notation for 3-[2-(3-methylbutoxy)ethylamino]-1-propylpyrazin-2-one?
The canonical SMILES for 3-[2-(3-methylbutoxy)ethylamino]-1-propylpyrazin-2-one is CCCn1ccnc(NCCOCCC(C)C)c1=O.
What is the InChIKey of 3-[2-(3-methylbutoxy)ethylamino]-1-propylpyrazin-2-one?
The InChIKey is AWSIBNLJRPVZJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-4-8-17-9-6-15-13(14(17)18)16-7-11-19-10-5-12(2)3/h6,9,12H,4-5,7-8,10-11H2,1-3H3,(H,15,16).
What are the key properties of 3-[2-(3-methylbutoxy)ethylamino]-1-propylpyrazin-2-one?
3-[2-(3-methylbutoxy)ethylamino]-1-propylpyrazin-2-one has a molecular weight of 267.37 g/mol, XLogP of 2.13, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-methylbutoxy)ethylamino]-1-propylpyrazin-2-one is sourced from PubChem (CID 62927925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).