1-amino-3-(3-methoxypropyl)-1,3-diazinan-2-one

C8H17N3O2 — CID 104601247

IUPAC1-amino-3-(3-methoxypropyl)-1,3-diazinan-2-one
SMILESCOCCCN1CCCN(N)C1=O
InChIInChI=1S/C8H17N3O2/c1-13-7-3-5-10-4-2-6-11(9)8(10)12/h2-7,9H2,1H3
InChIKeyBADKDMZMCHDIEN-UHFFFAOYSA-N
MW187.24 g/mol
LogP0.02
Rot. Bonds4

About 1-amino-3-(3-methoxypropyl)-1,3-diazinan-2-one

1-amino-3-(3-methoxypropyl)-1,3-diazinan-2-one (PubChem CID 104601247) has the molecular formula C8H17N3O2 and a molecular weight of 187.24 g/mol. Its IUPAC name is 1-amino-3-(3-methoxypropyl)-1,3-diazinan-2-one.

Molecular Properties

Compound Name1-amino-3-(3-methoxypropyl)-1,3-diazinan-2-one
PubChem CID104601247
Molecular FormulaC8H17N3O2
Molecular Weight187.24 g/mol
Exact Mass187.13
IUPAC Name1-amino-3-(3-methoxypropyl)-1,3-diazinan-2-one
SMILESCOCCCN1CCCN(N)C1=O
InChIInChI=1S/C8H17N3O2/c1-13-7-3-5-10-4-2-6-11(9)8(10)12/h2-7,9H2,1H3
InChIKeyBADKDMZMCHDIEN-UHFFFAOYSA-N
XLogP0.02
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(3-methoxypropyl)-1,3-diazinan-2-one?
The IUPAC name of 1-amino-3-(3-methoxypropyl)-1,3-diazinan-2-one (CID 104601247) is 1-amino-3-(3-methoxypropyl)-1,3-diazinan-2-one.
What is the SMILES notation for 1-amino-3-(3-methoxypropyl)-1,3-diazinan-2-one?
The canonical SMILES for 1-amino-3-(3-methoxypropyl)-1,3-diazinan-2-one is COCCCN1CCCN(N)C1=O.
What is the InChIKey of 1-amino-3-(3-methoxypropyl)-1,3-diazinan-2-one?
The InChIKey is BADKDMZMCHDIEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O2/c1-13-7-3-5-10-4-2-6-11(9)8(10)12/h2-7,9H2,1H3.
What are the key properties of 1-amino-3-(3-methoxypropyl)-1,3-diazinan-2-one?
1-amino-3-(3-methoxypropyl)-1,3-diazinan-2-one has a molecular weight of 187.24 g/mol, XLogP of 0.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(3-methoxypropyl)-1,3-diazinan-2-one is sourced from PubChem (CID 104601247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).