5-ethyl-6-imino-1-methyl-5-propyl-1,3-diazinane-2,4-dione

C10H17N3O2 — CID 593031

IUPAC5-ethyl-6-imino-1-methyl-5-propyl-1,3-diazinane-2,4-dione
SMILES[H]/N=C1\N(C)C(=O)NC(=O)C1(CC)CCC
InChIInChI=1S/C10H17N3O2/c1-4-6-10(5-2)7(11)13(3)9(15)12-8(10)14/h11H,4-6H2,1-3H3,(H,12,14,15)/b11-7-
InChIKeyBTXRRFKBIDONGD-XFFZJAGNSA-N
MW211.26 g/mol
LogP1.34
Rot. Bonds3

About 5-ethyl-6-imino-1-methyl-5-propyl-1,3-diazinane-2,4-dione

5-ethyl-6-imino-1-methyl-5-propyl-1,3-diazinane-2,4-dione (PubChem CID 593031) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 5-ethyl-6-imino-1-methyl-5-propyl-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name5-ethyl-6-imino-1-methyl-5-propyl-1,3-diazinane-2,4-dione
PubChem CID593031
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name5-ethyl-6-imino-1-methyl-5-propyl-1,3-diazinane-2,4-dione
SMILES[H]/N=C1\N(C)C(=O)NC(=O)C1(CC)CCC
InChIInChI=1S/C10H17N3O2/c1-4-6-10(5-2)7(11)13(3)9(15)12-8(10)14/h11H,4-6H2,1-3H3,(H,12,14,15)/b11-7-
InChIKeyBTXRRFKBIDONGD-XFFZJAGNSA-N
XLogP1.34
TPSA73.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 51.34
H-Bond Donors ≤ 52
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 5-ethyl-6-imino-1-methyl-5-propyl-1,3-diazinane-2,4-dione?
The IUPAC name of 5-ethyl-6-imino-1-methyl-5-propyl-1,3-diazinane-2,4-dione (CID 593031) is 5-ethyl-6-imino-1-methyl-5-propyl-1,3-diazinane-2,4-dione.
What is the SMILES notation for 5-ethyl-6-imino-1-methyl-5-propyl-1,3-diazinane-2,4-dione?
The canonical SMILES for 5-ethyl-6-imino-1-methyl-5-propyl-1,3-diazinane-2,4-dione is [H]/N=C1\N(C)C(=O)NC(=O)C1(CC)CCC.
What is the InChIKey of 5-ethyl-6-imino-1-methyl-5-propyl-1,3-diazinane-2,4-dione?
The InChIKey is BTXRRFKBIDONGD-XFFZJAGNSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-4-6-10(5-2)7(11)13(3)9(15)12-8(10)14/h11H,4-6H2,1-3H3,(H,12,14,15)/b11-7-.
What are the key properties of 5-ethyl-6-imino-1-methyl-5-propyl-1,3-diazinane-2,4-dione?
5-ethyl-6-imino-1-methyl-5-propyl-1,3-diazinane-2,4-dione has a molecular weight of 211.26 g/mol, XLogP of 1.34, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-6-imino-1-methyl-5-propyl-1,3-diazinane-2,4-dione is sourced from PubChem (CID 593031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).