1,3-dicyclohexyl-5-(dimethylaminomethylidene)-1,3-diazinane-2,4,6-trione

C19H29N3O3 — CID 646897

IUPAC1,3-dicyclohexyl-5-(dimethylaminomethylidene)-1,3-diazinane-2,4,6-trione
SMILESCN(C)C=C1C(=O)N(C2CCCCC2)C(=O)N(C2CCCCC2)C1=O
InChIInChI=1S/C19H29N3O3/c1-20(2)13-16-17(23)21(14-9-5-3-6-10-14)19(25)22(18(16)24)15-11-7-4-8-12-15/h13-15H,3-12H2,1-2H3
InChIKeyAIRYYAGSJFNMQB-UHFFFAOYSA-N
MW347.46 g/mol
LogP2.89
Rot. Bonds3

About 1,3-dicyclohexyl-5-(dimethylaminomethylidene)-1,3-diazinane-2,4,6-trione

1,3-dicyclohexyl-5-(dimethylaminomethylidene)-1,3-diazinane-2,4,6-trione (PubChem CID 646897) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is 1,3-dicyclohexyl-5-(dimethylaminomethylidene)-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name1,3-dicyclohexyl-5-(dimethylaminomethylidene)-1,3-diazinane-2,4,6-trione
PubChem CID646897
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC Name1,3-dicyclohexyl-5-(dimethylaminomethylidene)-1,3-diazinane-2,4,6-trione
SMILESCN(C)C=C1C(=O)N(C2CCCCC2)C(=O)N(C2CCCCC2)C1=O
InChIInChI=1S/C19H29N3O3/c1-20(2)13-16-17(23)21(14-9-5-3-6-10-14)19(25)22(18(16)24)15-11-7-4-8-12-15/h13-15H,3-12H2,1-2H3
InChIKeyAIRYYAGSJFNMQB-UHFFFAOYSA-N
XLogP2.89
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_six_het_A(483)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,3-dicyclohexyl-5-(dimethylaminomethylidene)-1,3-diazinane-2,4,6-trione?
The IUPAC name of 1,3-dicyclohexyl-5-(dimethylaminomethylidene)-1,3-diazinane-2,4,6-trione (CID 646897) is 1,3-dicyclohexyl-5-(dimethylaminomethylidene)-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 1,3-dicyclohexyl-5-(dimethylaminomethylidene)-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 1,3-dicyclohexyl-5-(dimethylaminomethylidene)-1,3-diazinane-2,4,6-trione is CN(C)C=C1C(=O)N(C2CCCCC2)C(=O)N(C2CCCCC2)C1=O.
What is the InChIKey of 1,3-dicyclohexyl-5-(dimethylaminomethylidene)-1,3-diazinane-2,4,6-trione?
The InChIKey is AIRYYAGSJFNMQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3/c1-20(2)13-16-17(23)21(14-9-5-3-6-10-14)19(25)22(18(16)24)15-11-7-4-8-12-15/h13-15H,3-12H2,1-2H3.
What are the key properties of 1,3-dicyclohexyl-5-(dimethylaminomethylidene)-1,3-diazinane-2,4,6-trione?
1,3-dicyclohexyl-5-(dimethylaminomethylidene)-1,3-diazinane-2,4,6-trione has a molecular weight of 347.46 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dicyclohexyl-5-(dimethylaminomethylidene)-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 646897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).