6-imino-1,3-dimethyl-5,5-dipropyl-1,3-diazinane-2,4-dione

C12H21N3O2 — CID 6611688

IUPAC6-imino-1,3-dimethyl-5,5-dipropyl-1,3-diazinane-2,4-dione
SMILES[H]/N=C1\N(C)C(=O)N(C)C(=O)C1(CCC)CCC
InChIInChI=1S/C12H21N3O2/c1-5-7-12(8-6-2)9(13)14(3)11(17)15(4)10(12)16/h13H,5-8H2,1-4H3/b13-9-
InChIKeyFHLIKVSGYORNMR-LCYFTJDESA-N
MW239.32 g/mol
LogP2.07
Rot. Bonds4

About 6-imino-1,3-dimethyl-5,5-dipropyl-1,3-diazinane-2,4-dione

6-imino-1,3-dimethyl-5,5-dipropyl-1,3-diazinane-2,4-dione (PubChem CID 6611688) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 6-imino-1,3-dimethyl-5,5-dipropyl-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name6-imino-1,3-dimethyl-5,5-dipropyl-1,3-diazinane-2,4-dione
PubChem CID6611688
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name6-imino-1,3-dimethyl-5,5-dipropyl-1,3-diazinane-2,4-dione
SMILES[H]/N=C1\N(C)C(=O)N(C)C(=O)C1(CCC)CCC
InChIInChI=1S/C12H21N3O2/c1-5-7-12(8-6-2)9(13)14(3)11(17)15(4)10(12)16/h13H,5-8H2,1-4H3/b13-9-
InChIKeyFHLIKVSGYORNMR-LCYFTJDESA-N
XLogP2.07
TPSA64.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 6-imino-1,3-dimethyl-5,5-dipropyl-1,3-diazinane-2,4-dione?
The IUPAC name of 6-imino-1,3-dimethyl-5,5-dipropyl-1,3-diazinane-2,4-dione (CID 6611688) is 6-imino-1,3-dimethyl-5,5-dipropyl-1,3-diazinane-2,4-dione.
What is the SMILES notation for 6-imino-1,3-dimethyl-5,5-dipropyl-1,3-diazinane-2,4-dione?
The canonical SMILES for 6-imino-1,3-dimethyl-5,5-dipropyl-1,3-diazinane-2,4-dione is [H]/N=C1\N(C)C(=O)N(C)C(=O)C1(CCC)CCC.
What is the InChIKey of 6-imino-1,3-dimethyl-5,5-dipropyl-1,3-diazinane-2,4-dione?
The InChIKey is FHLIKVSGYORNMR-LCYFTJDESA-N. The full InChI is InChI=1S/C12H21N3O2/c1-5-7-12(8-6-2)9(13)14(3)11(17)15(4)10(12)16/h13H,5-8H2,1-4H3/b13-9-.
What are the key properties of 6-imino-1,3-dimethyl-5,5-dipropyl-1,3-diazinane-2,4-dione?
6-imino-1,3-dimethyl-5,5-dipropyl-1,3-diazinane-2,4-dione has a molecular weight of 239.32 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-imino-1,3-dimethyl-5,5-dipropyl-1,3-diazinane-2,4-dione is sourced from PubChem (CID 6611688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).