5-(3-aminopropyl)-5-ethyl-1,3-diazinane-2,4,6-trione

C9H15N3O3 — CID 19911803

IUPAC5-(3-aminopropyl)-5-ethyl-1,3-diazinane-2,4,6-trione
SMILESCCC1(CCCN)C(=O)NC(=O)NC1=O
InChIInChI=1S/C9H15N3O3/c1-2-9(4-3-5-10)6(13)11-8(15)12-7(9)14/h2-5,10H2,1H3,(H2,11,12,13,14,15)
InChIKeyMKFOOKAJLQJAFO-UHFFFAOYSA-N
MW213.24 g/mol
LogP-0.51
Rot. Bonds4

About 5-(3-aminopropyl)-5-ethyl-1,3-diazinane-2,4,6-trione

5-(3-aminopropyl)-5-ethyl-1,3-diazinane-2,4,6-trione (PubChem CID 19911803) has the molecular formula C9H15N3O3 and a molecular weight of 213.24 g/mol. Its IUPAC name is 5-(3-aminopropyl)-5-ethyl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-(3-aminopropyl)-5-ethyl-1,3-diazinane-2,4,6-trione
PubChem CID19911803
Molecular FormulaC9H15N3O3
Molecular Weight213.24 g/mol
Exact Mass213.11
IUPAC Name5-(3-aminopropyl)-5-ethyl-1,3-diazinane-2,4,6-trione
SMILESCCC1(CCCN)C(=O)NC(=O)NC1=O
InChIInChI=1S/C9H15N3O3/c1-2-9(4-3-5-10)6(13)11-8(15)12-7(9)14/h2-5,10H2,1H3,(H2,11,12,13,14,15)
InChIKeyMKFOOKAJLQJAFO-UHFFFAOYSA-N
XLogP-0.51
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 5-0.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5,5-diethyl-1,3-diazinane-2,4,6-trione;hydrochloride
CID 22163315
5-ethyl-5-(3-methylbutyl)-1,3-diazinane-2,4,6-trione;hydrofluoride
CID 70470534
5,5-dihexyl-1,3-diazinane-2,4,6-trione
CID 15536734
CID 131883127
CID 131883127
5-ethyl-5-pentyl-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 3033572
5-(3-fluoropropyl)-5-(3-methylbutyl)-1,3-diazinane-2,4,6-trione
CID 89447709
5-ethyl-6-imino-5-propyl-1,3-diazinane-2,4-dione
CID 138111717
2-amino-5-butyl-5-ethyl-1H-pyrimidine-4,6-dione
CID 12008284
ethyl 3-(5-octyl-2,4,6-trioxo-1,3-diazinan-5-yl)propanoate
CID 142170729
5-(butylsulfanylmethyl)-5-propyl-1,3-diazinane-2,4,6-trione
CID 23622371
3-(3-aminopropyl)-3-methylpyrrolidine-2,5-dione
CID 23162784
5-ethyl-5-(2-ethyl-5-methylhexyl)-1,3-diazinane-2,4,6-trione
CID 3050733

Frequently Asked Questions

What is the IUPAC name of 5-(3-aminopropyl)-5-ethyl-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-(3-aminopropyl)-5-ethyl-1,3-diazinane-2,4,6-trione (CID 19911803) is 5-(3-aminopropyl)-5-ethyl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-(3-aminopropyl)-5-ethyl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-(3-aminopropyl)-5-ethyl-1,3-diazinane-2,4,6-trione is CCC1(CCCN)C(=O)NC(=O)NC1=O.
What is the InChIKey of 5-(3-aminopropyl)-5-ethyl-1,3-diazinane-2,4,6-trione?
The InChIKey is MKFOOKAJLQJAFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O3/c1-2-9(4-3-5-10)6(13)11-8(15)12-7(9)14/h2-5,10H2,1H3,(H2,11,12,13,14,15).
What are the key properties of 5-(3-aminopropyl)-5-ethyl-1,3-diazinane-2,4,6-trione?
5-(3-aminopropyl)-5-ethyl-1,3-diazinane-2,4,6-trione has a molecular weight of 213.24 g/mol, XLogP of -0.51, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminopropyl)-5-ethyl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 19911803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).