1,5-dimethyl-3,4-dipropyl-1,3-diazinan-2-one

C12H24N2O — CID 21354290

IUPAC1,5-dimethyl-3,4-dipropyl-1,3-diazinan-2-one
SMILESCCCC1C(C)CN(C)C(=O)N1CCC
InChIInChI=1S/C12H24N2O/c1-5-7-11-10(3)9-13(4)12(15)14(11)8-6-2/h10-11H,5-9H2,1-4H3
InChIKeyLVGNPLNEXRFVOA-UHFFFAOYSA-N
MW212.34 g/mol
LogP2.57
Rot. Bonds4

About 1,5-dimethyl-3,4-dipropyl-1,3-diazinan-2-one

1,5-dimethyl-3,4-dipropyl-1,3-diazinan-2-one (PubChem CID 21354290) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 1,5-dimethyl-3,4-dipropyl-1,3-diazinan-2-one.

Molecular Properties

Compound Name1,5-dimethyl-3,4-dipropyl-1,3-diazinan-2-one
PubChem CID21354290
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name1,5-dimethyl-3,4-dipropyl-1,3-diazinan-2-one
SMILESCCCC1C(C)CN(C)C(=O)N1CCC
InChIInChI=1S/C12H24N2O/c1-5-7-11-10(3)9-13(4)12(15)14(11)8-6-2/h10-11H,5-9H2,1-4H3
InChIKeyLVGNPLNEXRFVOA-UHFFFAOYSA-N
XLogP2.57
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-3,4-dipropyl-1,3-diazinan-2-one?
The IUPAC name of 1,5-dimethyl-3,4-dipropyl-1,3-diazinan-2-one (CID 21354290) is 1,5-dimethyl-3,4-dipropyl-1,3-diazinan-2-one.
What is the SMILES notation for 1,5-dimethyl-3,4-dipropyl-1,3-diazinan-2-one?
The canonical SMILES for 1,5-dimethyl-3,4-dipropyl-1,3-diazinan-2-one is CCCC1C(C)CN(C)C(=O)N1CCC.
What is the InChIKey of 1,5-dimethyl-3,4-dipropyl-1,3-diazinan-2-one?
The InChIKey is LVGNPLNEXRFVOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-5-7-11-10(3)9-13(4)12(15)14(11)8-6-2/h10-11H,5-9H2,1-4H3.
What are the key properties of 1,5-dimethyl-3,4-dipropyl-1,3-diazinan-2-one?
1,5-dimethyl-3,4-dipropyl-1,3-diazinan-2-one has a molecular weight of 212.34 g/mol, XLogP of 2.57, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-3,4-dipropyl-1,3-diazinan-2-one is sourced from PubChem (CID 21354290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).