3-(3-aminophenyl)-5,5-diethyl-1,3-diazinane-2,4-dione

C14H19N3O2 — CID 115431321

IUPAC3-(3-aminophenyl)-5,5-diethyl-1,3-diazinane-2,4-dione
SMILESCCC1(CC)CNC(=O)N(c2cccc(N)c2)C1=O
InChIInChI=1S/C14H19N3O2/c1-3-14(4-2)9-16-13(19)17(12(14)18)11-7-5-6-10(15)8-11/h5-8H,3-4,9,15H2,1-2H3,(H,16,19)
InChIKeyKIWKBDUZPVQJPQ-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.13
Rot. Bonds3

About 3-(3-aminophenyl)-5,5-diethyl-1,3-diazinane-2,4-dione

3-(3-aminophenyl)-5,5-diethyl-1,3-diazinane-2,4-dione (PubChem CID 115431321) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 3-(3-aminophenyl)-5,5-diethyl-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name3-(3-aminophenyl)-5,5-diethyl-1,3-diazinane-2,4-dione
PubChem CID115431321
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name3-(3-aminophenyl)-5,5-diethyl-1,3-diazinane-2,4-dione
SMILESCCC1(CC)CNC(=O)N(c2cccc(N)c2)C1=O
InChIInChI=1S/C14H19N3O2/c1-3-14(4-2)9-16-13(19)17(12(14)18)11-7-5-6-10(15)8-11/h5-8H,3-4,9,15H2,1-2H3,(H,16,19)
InChIKeyKIWKBDUZPVQJPQ-UHFFFAOYSA-N
XLogP2.13
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(3-aminophenyl)-5,5-diethyl-1,3-diazinane-2,4-dione?
The IUPAC name of 3-(3-aminophenyl)-5,5-diethyl-1,3-diazinane-2,4-dione (CID 115431321) is 3-(3-aminophenyl)-5,5-diethyl-1,3-diazinane-2,4-dione.
What is the SMILES notation for 3-(3-aminophenyl)-5,5-diethyl-1,3-diazinane-2,4-dione?
The canonical SMILES for 3-(3-aminophenyl)-5,5-diethyl-1,3-diazinane-2,4-dione is CCC1(CC)CNC(=O)N(c2cccc(N)c2)C1=O.
What is the InChIKey of 3-(3-aminophenyl)-5,5-diethyl-1,3-diazinane-2,4-dione?
The InChIKey is KIWKBDUZPVQJPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-3-14(4-2)9-16-13(19)17(12(14)18)11-7-5-6-10(15)8-11/h5-8H,3-4,9,15H2,1-2H3,(H,16,19).
What are the key properties of 3-(3-aminophenyl)-5,5-diethyl-1,3-diazinane-2,4-dione?
3-(3-aminophenyl)-5,5-diethyl-1,3-diazinane-2,4-dione has a molecular weight of 261.32 g/mol, XLogP of 2.13, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminophenyl)-5,5-diethyl-1,3-diazinane-2,4-dione is sourced from PubChem (CID 115431321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).