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

C10H19N3O — CID 84774559

IUPAC1-cyclopropyl-3-[2-(methylamino)ethyl]-1,3-diazinan-2-one
SMILESCNCCN1CCCN(C2CC2)C1=O
InChIInChI=1S/C10H19N3O/c1-11-5-8-12-6-2-7-13(10(12)14)9-3-4-9/h9,11H,2-8H2,1H3
InChIKeyATUTWCNLYDABLX-UHFFFAOYSA-N
MW197.28 g/mol
LogP0.50
Rot. Bonds4

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

1-cyclopropyl-3-[2-(methylamino)ethyl]-1,3-diazinan-2-one (PubChem CID 84774559) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is 1-cyclopropyl-3-[2-(methylamino)ethyl]-1,3-diazinan-2-one.

Molecular Properties

Compound Name1-cyclopropyl-3-[2-(methylamino)ethyl]-1,3-diazinan-2-one
PubChem CID84774559
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name1-cyclopropyl-3-[2-(methylamino)ethyl]-1,3-diazinan-2-one
SMILESCNCCN1CCCN(C2CC2)C1=O
InChIInChI=1S/C10H19N3O/c1-11-5-8-12-6-2-7-13(10(12)14)9-3-4-9/h9,11H,2-8H2,1H3
InChIKeyATUTWCNLYDABLX-UHFFFAOYSA-N
XLogP0.50
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[2-(methylamino)ethyl]-1,3-diazinan-2-one?
The IUPAC name of 1-cyclopropyl-3-[2-(methylamino)ethyl]-1,3-diazinan-2-one (CID 84774559) is 1-cyclopropyl-3-[2-(methylamino)ethyl]-1,3-diazinan-2-one.
What is the SMILES notation for 1-cyclopropyl-3-[2-(methylamino)ethyl]-1,3-diazinan-2-one?
The canonical SMILES for 1-cyclopropyl-3-[2-(methylamino)ethyl]-1,3-diazinan-2-one is CNCCN1CCCN(C2CC2)C1=O.
What is the InChIKey of 1-cyclopropyl-3-[2-(methylamino)ethyl]-1,3-diazinan-2-one?
The InChIKey is ATUTWCNLYDABLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-11-5-8-12-6-2-7-13(10(12)14)9-3-4-9/h9,11H,2-8H2,1H3.
What are the key properties of 1-cyclopropyl-3-[2-(methylamino)ethyl]-1,3-diazinan-2-one?
1-cyclopropyl-3-[2-(methylamino)ethyl]-1,3-diazinan-2-one has a molecular weight of 197.28 g/mol, XLogP of 0.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[2-(methylamino)ethyl]-1,3-diazinan-2-one is sourced from PubChem (CID 84774559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).