1-cyclohexyl-5-[(dimethylamino)methyl]-3,5-dimethyl-1,3-diazinane-2,4,6-trione;hydrochloride

C15H26ClN3O3 — CID 21144799

IUPAC1-cyclohexyl-5-[(dimethylamino)methyl]-3,5-dimethyl-1,3-diazinane-2,4,6-trione;hydrochloride
SMILESCN(C)CC1(C)C(=O)N(C)C(=O)N(C2CCCCC2)C1=O.Cl
InChIInChI=1S/C15H25N3O3.ClH/c1-15(10-16(2)3)12(19)17(4)14(21)18(13(15)20)11-8-6-5-7-9-11;/h11H,5-10H2,1-4H3;1H
InChIKeyAGPGSUZFUKTFOM-UHFFFAOYSA-N
MW331.84 g/mol
LogP1.73
Rot. Bonds3

About 1-cyclohexyl-5-[(dimethylamino)methyl]-3,5-dimethyl-1,3-diazinane-2,4,6-trione;hydrochloride

1-cyclohexyl-5-[(dimethylamino)methyl]-3,5-dimethyl-1,3-diazinane-2,4,6-trione;hydrochloride (PubChem CID 21144799) has the molecular formula C15H26ClN3O3 and a molecular weight of 331.84 g/mol. Its IUPAC name is 1-cyclohexyl-5-[(dimethylamino)methyl]-3,5-dimethyl-1,3-diazinane-2,4,6-trione;hydrochloride.

Molecular Properties

Compound Name1-cyclohexyl-5-[(dimethylamino)methyl]-3,5-dimethyl-1,3-diazinane-2,4,6-trione;hydrochloride
PubChem CID21144799
Molecular FormulaC15H26ClN3O3
Molecular Weight331.84 g/mol
Exact Mass331.17
IUPAC Name1-cyclohexyl-5-[(dimethylamino)methyl]-3,5-dimethyl-1,3-diazinane-2,4,6-trione;hydrochloride
SMILESCN(C)CC1(C)C(=O)N(C)C(=O)N(C2CCCCC2)C1=O.Cl
InChIInChI=1S/C15H25N3O3.ClH/c1-15(10-16(2)3)12(19)17(4)14(21)18(13(15)20)11-8-6-5-7-9-11;/h11H,5-10H2,1-4H3;1H
InChIKeyAGPGSUZFUKTFOM-UHFFFAOYSA-N
XLogP1.73
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.84
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-5-[(dimethylamino)methyl]-3,5-dimethyl-1,3-diazinane-2,4,6-trione;hydrochloride?
The IUPAC name of 1-cyclohexyl-5-[(dimethylamino)methyl]-3,5-dimethyl-1,3-diazinane-2,4,6-trione;hydrochloride (CID 21144799) is 1-cyclohexyl-5-[(dimethylamino)methyl]-3,5-dimethyl-1,3-diazinane-2,4,6-trione;hydrochloride.
What is the SMILES notation for 1-cyclohexyl-5-[(dimethylamino)methyl]-3,5-dimethyl-1,3-diazinane-2,4,6-trione;hydrochloride?
The canonical SMILES for 1-cyclohexyl-5-[(dimethylamino)methyl]-3,5-dimethyl-1,3-diazinane-2,4,6-trione;hydrochloride is CN(C)CC1(C)C(=O)N(C)C(=O)N(C2CCCCC2)C1=O.Cl.
What is the InChIKey of 1-cyclohexyl-5-[(dimethylamino)methyl]-3,5-dimethyl-1,3-diazinane-2,4,6-trione;hydrochloride?
The InChIKey is AGPGSUZFUKTFOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3.ClH/c1-15(10-16(2)3)12(19)17(4)14(21)18(13(15)20)11-8-6-5-7-9-11;/h11H,5-10H2,1-4H3;1H.
What are the key properties of 1-cyclohexyl-5-[(dimethylamino)methyl]-3,5-dimethyl-1,3-diazinane-2,4,6-trione;hydrochloride?
1-cyclohexyl-5-[(dimethylamino)methyl]-3,5-dimethyl-1,3-diazinane-2,4,6-trione;hydrochloride has a molecular weight of 331.84 g/mol, XLogP of 1.73, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-5-[(dimethylamino)methyl]-3,5-dimethyl-1,3-diazinane-2,4,6-trione;hydrochloride is sourced from PubChem (CID 21144799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).