1-[2-[cyclopentyl(methyl)amino]ethyl]-5-propan-2-yl-1,3-diazinane-2,4,6-trione

C15H25N3O3 — CID 115948244

IUPAC1-[2-[cyclopentyl(methyl)amino]ethyl]-5-propan-2-yl-1,3-diazinane-2,4,6-trione
SMILESCC(C)C1C(=O)NC(=O)N(CCN(C)C2CCCC2)C1=O
InChIInChI=1S/C15H25N3O3/c1-10(2)12-13(19)16-15(21)18(14(12)20)9-8-17(3)11-6-4-5-7-11/h10-12H,4-9H2,1-3H3,(H,16,19,21)
InChIKeyUTFUZZBDDHMPHD-UHFFFAOYSA-N
MW295.38 g/mol
LogP1.21
Rot. Bonds5

About 1-[2-[cyclopentyl(methyl)amino]ethyl]-5-propan-2-yl-1,3-diazinane-2,4,6-trione

1-[2-[cyclopentyl(methyl)amino]ethyl]-5-propan-2-yl-1,3-diazinane-2,4,6-trione (PubChem CID 115948244) has the molecular formula C15H25N3O3 and a molecular weight of 295.38 g/mol. Its IUPAC name is 1-[2-[cyclopentyl(methyl)amino]ethyl]-5-propan-2-yl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name1-[2-[cyclopentyl(methyl)amino]ethyl]-5-propan-2-yl-1,3-diazinane-2,4,6-trione
PubChem CID115948244
Molecular FormulaC15H25N3O3
Molecular Weight295.38 g/mol
Exact Mass295.19
IUPAC Name1-[2-[cyclopentyl(methyl)amino]ethyl]-5-propan-2-yl-1,3-diazinane-2,4,6-trione
SMILESCC(C)C1C(=O)NC(=O)N(CCN(C)C2CCCC2)C1=O
InChIInChI=1S/C15H25N3O3/c1-10(2)12-13(19)16-15(21)18(14(12)20)9-8-17(3)11-6-4-5-7-11/h10-12H,4-9H2,1-3H3,(H,16,19,21)
InChIKeyUTFUZZBDDHMPHD-UHFFFAOYSA-N
XLogP1.21
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-propan-2-yl-1-(3-pyrrolidin-1-ylpropyl)-1,3-diazinane-2,4,6-trione
CID 115948114
3-[2-[cycloheptyl(methyl)amino]ethyl]-5,5-dimethylimidazolidine-2,4-dione
CID 34195722
1-(2-methyl-3-pyrrolidin-1-ylpropyl)-5-propan-2-yl-1,3-diazinane-2,4,6-trione
CID 115948061
1-[2-[cyclopropyl(methyl)amino]ethyl]-1,3-diazinane-2,4,6-trione
CID 112597993
3-(2,4,6-trioxo-5-propan-2-yl-1,3-diazinan-1-yl)propane-1-sulfonamide
CID 112599705
N-[2-(2,4,6-trioxo-5-propan-2-yl-1,3-diazinan-1-yl)ethyl]acetamide
CID 112599352
1-[(5-oxopyrrolidin-2-yl)methyl]-5-propan-2-yl-1,3-diazinane-2,4,6-trione
CID 112601050
1-[(4-fluorophenyl)methyl]-5-propan-2-yl-1,3-diazinane-2,4,6-trione
CID 115945917
1-[2-[cyclopentyl(methyl)amino]ethyl]-1,3-diazinan-2-one
CID 115371177
3-[2-[cyclopentyl(methyl)amino]ethyl]-1,3-diazaspiro[4.4]nonan-4-one
CID 83257748
(5S)-3-[[cyclohexyl(methyl)amino]methyl]-5-(2-methylpropyl)imidazolidine-2,4-dione
CID 41411898
1-[2-(dimethylamino)ethyl]-5-(4-fluorophenyl)-1,3-diazinane-2,4,6-trione
CID 115946042

Frequently Asked Questions

What is the IUPAC name of 1-[2-[cyclopentyl(methyl)amino]ethyl]-5-propan-2-yl-1,3-diazinane-2,4,6-trione?
The IUPAC name of 1-[2-[cyclopentyl(methyl)amino]ethyl]-5-propan-2-yl-1,3-diazinane-2,4,6-trione (CID 115948244) is 1-[2-[cyclopentyl(methyl)amino]ethyl]-5-propan-2-yl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 1-[2-[cyclopentyl(methyl)amino]ethyl]-5-propan-2-yl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 1-[2-[cyclopentyl(methyl)amino]ethyl]-5-propan-2-yl-1,3-diazinane-2,4,6-trione is CC(C)C1C(=O)NC(=O)N(CCN(C)C2CCCC2)C1=O.
What is the InChIKey of 1-[2-[cyclopentyl(methyl)amino]ethyl]-5-propan-2-yl-1,3-diazinane-2,4,6-trione?
The InChIKey is UTFUZZBDDHMPHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3/c1-10(2)12-13(19)16-15(21)18(14(12)20)9-8-17(3)11-6-4-5-7-11/h10-12H,4-9H2,1-3H3,(H,16,19,21).
What are the key properties of 1-[2-[cyclopentyl(methyl)amino]ethyl]-5-propan-2-yl-1,3-diazinane-2,4,6-trione?
1-[2-[cyclopentyl(methyl)amino]ethyl]-5-propan-2-yl-1,3-diazinane-2,4,6-trione has a molecular weight of 295.38 g/mol, XLogP of 1.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[cyclopentyl(methyl)amino]ethyl]-5-propan-2-yl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 115948244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).