1-[3-(ethylamino)propyl]-5-hydroxy-1,3-diazinan-2-one

C9H19N3O2 — CID 18340109

IUPAC1-[3-(ethylamino)propyl]-5-hydroxy-1,3-diazinan-2-one
SMILESCCNCCCN1CC(O)CNC1=O
InChIInChI=1S/C9H19N3O2/c1-2-10-4-3-5-12-7-8(13)6-11-9(12)14/h8,10,13H,2-7H2,1H3,(H,11,14)
InChIKeyAKISXJXUHJQWLC-UHFFFAOYSA-N
MW201.27 g/mol
LogP-0.63
Rot. Bonds5

About 1-[3-(ethylamino)propyl]-5-hydroxy-1,3-diazinan-2-one

1-[3-(ethylamino)propyl]-5-hydroxy-1,3-diazinan-2-one (PubChem CID 18340109) has the molecular formula C9H19N3O2 and a molecular weight of 201.27 g/mol. Its IUPAC name is 1-[3-(ethylamino)propyl]-5-hydroxy-1,3-diazinan-2-one.

Molecular Properties

Compound Name1-[3-(ethylamino)propyl]-5-hydroxy-1,3-diazinan-2-one
PubChem CID18340109
Molecular FormulaC9H19N3O2
Molecular Weight201.27 g/mol
Exact Mass201.15
IUPAC Name1-[3-(ethylamino)propyl]-5-hydroxy-1,3-diazinan-2-one
SMILESCCNCCCN1CC(O)CNC1=O
InChIInChI=1S/C9H19N3O2/c1-2-10-4-3-5-12-7-8(13)6-11-9(12)14/h8,10,13H,2-7H2,1H3,(H,11,14)
InChIKeyAKISXJXUHJQWLC-UHFFFAOYSA-N
XLogP-0.63
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 5-0.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(ethylamino)propyl]-5-hydroxy-1,3-diazinan-2-one?
The IUPAC name of 1-[3-(ethylamino)propyl]-5-hydroxy-1,3-diazinan-2-one (CID 18340109) is 1-[3-(ethylamino)propyl]-5-hydroxy-1,3-diazinan-2-one.
What is the SMILES notation for 1-[3-(ethylamino)propyl]-5-hydroxy-1,3-diazinan-2-one?
The canonical SMILES for 1-[3-(ethylamino)propyl]-5-hydroxy-1,3-diazinan-2-one is CCNCCCN1CC(O)CNC1=O.
What is the InChIKey of 1-[3-(ethylamino)propyl]-5-hydroxy-1,3-diazinan-2-one?
The InChIKey is AKISXJXUHJQWLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O2/c1-2-10-4-3-5-12-7-8(13)6-11-9(12)14/h8,10,13H,2-7H2,1H3,(H,11,14).
What are the key properties of 1-[3-(ethylamino)propyl]-5-hydroxy-1,3-diazinan-2-one?
1-[3-(ethylamino)propyl]-5-hydroxy-1,3-diazinan-2-one has a molecular weight of 201.27 g/mol, XLogP of -0.63, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(ethylamino)propyl]-5-hydroxy-1,3-diazinan-2-one is sourced from PubChem (CID 18340109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).