1-[3-(3-aminopropylamino)propyl]-5,5-diethyl-3-methyl-1,3-diazinane-2,4,6-trione

C15H28N4O3 — CID 12745406

IUPAC1-[3-(3-aminopropylamino)propyl]-5,5-diethyl-3-methyl-1,3-diazinane-2,4,6-trione
SMILESCCC1(CC)C(=O)N(C)C(=O)N(CCCNCCCN)C1=O
InChIInChI=1S/C15H28N4O3/c1-4-15(5-2)12(20)18(3)14(22)19(13(15)21)11-7-10-17-9-6-8-16/h17H,4-11,16H2,1-3H3
InChIKeyKVCNJFOHWFLYAT-UHFFFAOYSA-N
MW312.41 g/mol
LogP0.54
Rot. Bonds9

About 1-[3-(3-aminopropylamino)propyl]-5,5-diethyl-3-methyl-1,3-diazinane-2,4,6-trione

1-[3-(3-aminopropylamino)propyl]-5,5-diethyl-3-methyl-1,3-diazinane-2,4,6-trione (PubChem CID 12745406) has the molecular formula C15H28N4O3 and a molecular weight of 312.41 g/mol. Its IUPAC name is 1-[3-(3-aminopropylamino)propyl]-5,5-diethyl-3-methyl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name1-[3-(3-aminopropylamino)propyl]-5,5-diethyl-3-methyl-1,3-diazinane-2,4,6-trione
PubChem CID12745406
Molecular FormulaC15H28N4O3
Molecular Weight312.41 g/mol
Exact Mass312.22
IUPAC Name1-[3-(3-aminopropylamino)propyl]-5,5-diethyl-3-methyl-1,3-diazinane-2,4,6-trione
SMILESCCC1(CC)C(=O)N(C)C(=O)N(CCCNCCCN)C1=O
InChIInChI=1S/C15H28N4O3/c1-4-15(5-2)12(20)18(3)14(22)19(13(15)21)11-7-10-17-9-6-8-16/h17H,4-11,16H2,1-3H3
InChIKeyKVCNJFOHWFLYAT-UHFFFAOYSA-N
XLogP0.54
TPSA95.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-[3-(3-aminopropylamino)propyl]-5,5-diethyl-3-methyl-1,3-diazinane-2,4,6-trione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-aminopropylamino)propyl]-5,5-diethyl-3-methyl-1,3-diazinane-2,4,6-trione?
The IUPAC name of 1-[3-(3-aminopropylamino)propyl]-5,5-diethyl-3-methyl-1,3-diazinane-2,4,6-trione (CID 12745406) is 1-[3-(3-aminopropylamino)propyl]-5,5-diethyl-3-methyl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 1-[3-(3-aminopropylamino)propyl]-5,5-diethyl-3-methyl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 1-[3-(3-aminopropylamino)propyl]-5,5-diethyl-3-methyl-1,3-diazinane-2,4,6-trione is CCC1(CC)C(=O)N(C)C(=O)N(CCCNCCCN)C1=O.
What is the InChIKey of 1-[3-(3-aminopropylamino)propyl]-5,5-diethyl-3-methyl-1,3-diazinane-2,4,6-trione?
The InChIKey is KVCNJFOHWFLYAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O3/c1-4-15(5-2)12(20)18(3)14(22)19(13(15)21)11-7-10-17-9-6-8-16/h17H,4-11,16H2,1-3H3.
What are the key properties of 1-[3-(3-aminopropylamino)propyl]-5,5-diethyl-3-methyl-1,3-diazinane-2,4,6-trione?
1-[3-(3-aminopropylamino)propyl]-5,5-diethyl-3-methyl-1,3-diazinane-2,4,6-trione has a molecular weight of 312.41 g/mol, XLogP of 0.54, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-aminopropylamino)propyl]-5,5-diethyl-3-methyl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 12745406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).