5-ethyl-N,5-dimethyl-1,3-diazinan-2-imine

C8H17N3 — CID 136646704

IUPAC5-ethyl-N,5-dimethyl-1,3-diazinan-2-imine
SMILESCCC1(C)CNC(=NC)NC1
InChIInChI=1S/C8H17N3/c1-4-8(2)5-10-7(9-3)11-6-8/h4-6H2,1-3H3,(H2,9,10,11)
InChIKeyVIUDSCVDSSJSCM-UHFFFAOYSA-N
MW155.25 g/mol
LogP0.58
Rot. Bonds1

About 5-ethyl-N,5-dimethyl-1,3-diazinan-2-imine

5-ethyl-N,5-dimethyl-1,3-diazinan-2-imine (PubChem CID 136646704) has the molecular formula C8H17N3 and a molecular weight of 155.25 g/mol. Its IUPAC name is 5-ethyl-N,5-dimethyl-1,3-diazinan-2-imine.

Molecular Properties

Compound Name5-ethyl-N,5-dimethyl-1,3-diazinan-2-imine
PubChem CID136646704
Molecular FormulaC8H17N3
Molecular Weight155.25 g/mol
Exact Mass155.14
IUPAC Name5-ethyl-N,5-dimethyl-1,3-diazinan-2-imine
SMILESCCC1(C)CNC(=NC)NC1
InChIInChI=1S/C8H17N3/c1-4-8(2)5-10-7(9-3)11-6-8/h4-6H2,1-3H3,(H2,9,10,11)
InChIKeyVIUDSCVDSSJSCM-UHFFFAOYSA-N
XLogP0.58
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.25
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N,5-dimethyl-1,3-diazinan-2-imine?
The IUPAC name of 5-ethyl-N,5-dimethyl-1,3-diazinan-2-imine (CID 136646704) is 5-ethyl-N,5-dimethyl-1,3-diazinan-2-imine.
What is the SMILES notation for 5-ethyl-N,5-dimethyl-1,3-diazinan-2-imine?
The canonical SMILES for 5-ethyl-N,5-dimethyl-1,3-diazinan-2-imine is CCC1(C)CNC(=NC)NC1.
What is the InChIKey of 5-ethyl-N,5-dimethyl-1,3-diazinan-2-imine?
The InChIKey is VIUDSCVDSSJSCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3/c1-4-8(2)5-10-7(9-3)11-6-8/h4-6H2,1-3H3,(H2,9,10,11).
What are the key properties of 5-ethyl-N,5-dimethyl-1,3-diazinan-2-imine?
5-ethyl-N,5-dimethyl-1,3-diazinan-2-imine has a molecular weight of 155.25 g/mol, XLogP of 0.58, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N,5-dimethyl-1,3-diazinan-2-imine is sourced from PubChem (CID 136646704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).