1-(2-hydroxyethyl)-4-[2-(methylamino)ethyl]-1,3-diazinan-2-one

C9H19N3O2 — CID 177214888

IUPAC1-(2-hydroxyethyl)-4-[2-(methylamino)ethyl]-1,3-diazinan-2-one
SMILESCNCCC1CCN(CCO)C(=O)N1
InChIInChI=1S/C9H19N3O2/c1-10-4-2-8-3-5-12(6-7-13)9(14)11-8/h8,10,13H,2-7H2,1H3,(H,11,14)
InChIKeyRQBNPMGKCVHWTH-UHFFFAOYSA-N
MW201.27 g/mol
LogP-0.63
Rot. Bonds5

About 1-(2-hydroxyethyl)-4-[2-(methylamino)ethyl]-1,3-diazinan-2-one

1-(2-hydroxyethyl)-4-[2-(methylamino)ethyl]-1,3-diazinan-2-one (PubChem CID 177214888) has the molecular formula C9H19N3O2 and a molecular weight of 201.27 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-4-[2-(methylamino)ethyl]-1,3-diazinan-2-one.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-4-[2-(methylamino)ethyl]-1,3-diazinan-2-one
PubChem CID177214888
Molecular FormulaC9H19N3O2
Molecular Weight201.27 g/mol
Exact Mass201.15
IUPAC Name1-(2-hydroxyethyl)-4-[2-(methylamino)ethyl]-1,3-diazinan-2-one
SMILESCNCCC1CCN(CCO)C(=O)N1
InChIInChI=1S/C9H19N3O2/c1-10-4-2-8-3-5-12(6-7-13)9(14)11-8/h8,10,13H,2-7H2,1H3,(H,11,14)
InChIKeyRQBNPMGKCVHWTH-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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-4-[2-(methylamino)ethyl]-1,3-diazinan-2-one?
The IUPAC name of 1-(2-hydroxyethyl)-4-[2-(methylamino)ethyl]-1,3-diazinan-2-one (CID 177214888) is 1-(2-hydroxyethyl)-4-[2-(methylamino)ethyl]-1,3-diazinan-2-one.
What is the SMILES notation for 1-(2-hydroxyethyl)-4-[2-(methylamino)ethyl]-1,3-diazinan-2-one?
The canonical SMILES for 1-(2-hydroxyethyl)-4-[2-(methylamino)ethyl]-1,3-diazinan-2-one is CNCCC1CCN(CCO)C(=O)N1.
What is the InChIKey of 1-(2-hydroxyethyl)-4-[2-(methylamino)ethyl]-1,3-diazinan-2-one?
The InChIKey is RQBNPMGKCVHWTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O2/c1-10-4-2-8-3-5-12(6-7-13)9(14)11-8/h8,10,13H,2-7H2,1H3,(H,11,14).
What are the key properties of 1-(2-hydroxyethyl)-4-[2-(methylamino)ethyl]-1,3-diazinan-2-one?
1-(2-hydroxyethyl)-4-[2-(methylamino)ethyl]-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-(2-hydroxyethyl)-4-[2-(methylamino)ethyl]-1,3-diazinan-2-one is sourced from PubChem (CID 177214888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).