6-imino-1-methyl-5,5-bis(2-methylpropyl)-1,3-diazinane-2,4-dione

C13H23N3O2 — CID 6611735

IUPAC6-imino-1-methyl-5,5-bis(2-methylpropyl)-1,3-diazinane-2,4-dione
SMILES[H]/N=C1\N(C)C(=O)NC(=O)C1(CC(C)C)CC(C)C
InChIInChI=1S/C13H23N3O2/c1-8(2)6-13(7-9(3)4)10(14)16(5)12(18)15-11(13)17/h8-9,14H,6-7H2,1-5H3,(H,15,17,18)/b14-10-
InChIKeyXDOHOGHWYGMYDK-UVTDQMKNSA-N
MW253.35 g/mol
LogP2.22
Rot. Bonds4

About 6-imino-1-methyl-5,5-bis(2-methylpropyl)-1,3-diazinane-2,4-dione

6-imino-1-methyl-5,5-bis(2-methylpropyl)-1,3-diazinane-2,4-dione (PubChem CID 6611735) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 6-imino-1-methyl-5,5-bis(2-methylpropyl)-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name6-imino-1-methyl-5,5-bis(2-methylpropyl)-1,3-diazinane-2,4-dione
PubChem CID6611735
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name6-imino-1-methyl-5,5-bis(2-methylpropyl)-1,3-diazinane-2,4-dione
SMILES[H]/N=C1\N(C)C(=O)NC(=O)C1(CC(C)C)CC(C)C
InChIInChI=1S/C13H23N3O2/c1-8(2)6-13(7-9(3)4)10(14)16(5)12(18)15-11(13)17/h8-9,14H,6-7H2,1-5H3,(H,15,17,18)/b14-10-
InChIKeyXDOHOGHWYGMYDK-UVTDQMKNSA-N
XLogP2.22
TPSA73.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 52.22
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 6-imino-1-methyl-5,5-bis(2-methylpropyl)-1,3-diazinane-2,4-dione?
The IUPAC name of 6-imino-1-methyl-5,5-bis(2-methylpropyl)-1,3-diazinane-2,4-dione (CID 6611735) is 6-imino-1-methyl-5,5-bis(2-methylpropyl)-1,3-diazinane-2,4-dione.
What is the SMILES notation for 6-imino-1-methyl-5,5-bis(2-methylpropyl)-1,3-diazinane-2,4-dione?
The canonical SMILES for 6-imino-1-methyl-5,5-bis(2-methylpropyl)-1,3-diazinane-2,4-dione is [H]/N=C1\N(C)C(=O)NC(=O)C1(CC(C)C)CC(C)C.
What is the InChIKey of 6-imino-1-methyl-5,5-bis(2-methylpropyl)-1,3-diazinane-2,4-dione?
The InChIKey is XDOHOGHWYGMYDK-UVTDQMKNSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-8(2)6-13(7-9(3)4)10(14)16(5)12(18)15-11(13)17/h8-9,14H,6-7H2,1-5H3,(H,15,17,18)/b14-10-.
What are the key properties of 6-imino-1-methyl-5,5-bis(2-methylpropyl)-1,3-diazinane-2,4-dione?
6-imino-1-methyl-5,5-bis(2-methylpropyl)-1,3-diazinane-2,4-dione has a molecular weight of 253.35 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-imino-1-methyl-5,5-bis(2-methylpropyl)-1,3-diazinane-2,4-dione is sourced from PubChem (CID 6611735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).