1-amino-3-cyclohexyl-6-methyl-1,3,5-triazinane-2,4-dione

C10H18N4O2 — CID 23338135

IUPAC1-amino-3-cyclohexyl-6-methyl-1,3,5-triazinane-2,4-dione
SMILESCC1NC(=O)N(C2CCCCC2)C(=O)N1N
InChIInChI=1S/C10H18N4O2/c1-7-12-9(15)13(10(16)14(7)11)8-5-3-2-4-6-8/h7-8H,2-6,11H2,1H3,(H,12,15)
InChIKeyBDLCOCZBWQUHOH-UHFFFAOYSA-N
MW226.28 g/mol
LogP0.99
Rot. Bonds1

About 1-amino-3-cyclohexyl-6-methyl-1,3,5-triazinane-2,4-dione

1-amino-3-cyclohexyl-6-methyl-1,3,5-triazinane-2,4-dione (PubChem CID 23338135) has the molecular formula C10H18N4O2 and a molecular weight of 226.28 g/mol. Its IUPAC name is 1-amino-3-cyclohexyl-6-methyl-1,3,5-triazinane-2,4-dione.

Molecular Properties

Compound Name1-amino-3-cyclohexyl-6-methyl-1,3,5-triazinane-2,4-dione
PubChem CID23338135
Molecular FormulaC10H18N4O2
Molecular Weight226.28 g/mol
Exact Mass226.14
IUPAC Name1-amino-3-cyclohexyl-6-methyl-1,3,5-triazinane-2,4-dione
SMILESCC1NC(=O)N(C2CCCCC2)C(=O)N1N
InChIInChI=1S/C10H18N4O2/c1-7-12-9(15)13(10(16)14(7)11)8-5-3-2-4-6-8/h7-8H,2-6,11H2,1H3,(H,12,15)
InChIKeyBDLCOCZBWQUHOH-UHFFFAOYSA-N
XLogP0.99
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-amino-3-cyclohexyl-6-methyl-1,3,5-triazinane-2,4-dione?
The IUPAC name of 1-amino-3-cyclohexyl-6-methyl-1,3,5-triazinane-2,4-dione (CID 23338135) is 1-amino-3-cyclohexyl-6-methyl-1,3,5-triazinane-2,4-dione.
What is the SMILES notation for 1-amino-3-cyclohexyl-6-methyl-1,3,5-triazinane-2,4-dione?
The canonical SMILES for 1-amino-3-cyclohexyl-6-methyl-1,3,5-triazinane-2,4-dione is CC1NC(=O)N(C2CCCCC2)C(=O)N1N.
What is the InChIKey of 1-amino-3-cyclohexyl-6-methyl-1,3,5-triazinane-2,4-dione?
The InChIKey is BDLCOCZBWQUHOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2/c1-7-12-9(15)13(10(16)14(7)11)8-5-3-2-4-6-8/h7-8H,2-6,11H2,1H3,(H,12,15).
What are the key properties of 1-amino-3-cyclohexyl-6-methyl-1,3,5-triazinane-2,4-dione?
1-amino-3-cyclohexyl-6-methyl-1,3,5-triazinane-2,4-dione has a molecular weight of 226.28 g/mol, XLogP of 0.99, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-cyclohexyl-6-methyl-1,3,5-triazinane-2,4-dione is sourced from PubChem (CID 23338135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).