5-[N-[(2S)-5-(diethylamino)pentan-2-yl]-C-ethylcarbonimidoyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione

C18H32N4O3 — CID 7365686

IUPAC5-[N-[(2S)-5-(diethylamino)pentan-2-yl]-C-ethylcarbonimidoyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
SMILESCC/C(=N\[C@@H](C)CCCN(CC)CC)C1C(=O)N(C)C(=O)N(C)C1=O
InChIInChI=1S/C18H32N4O3/c1-7-14(19-13(4)11-10-12-22(8-2)9-3)15-16(23)20(5)18(25)21(6)17(15)24/h13,15H,7-12H2,1-6H3/b19-14+/t13-/m0/s1
InChIKeyPVDFXKSRWQXPFR-AZDDOORDSA-N
MW352.48 g/mol
LogP2.01
Rot. Bonds9

About 5-[N-[(2S)-5-(diethylamino)pentan-2-yl]-C-ethylcarbonimidoyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione

5-[N-[(2S)-5-(diethylamino)pentan-2-yl]-C-ethylcarbonimidoyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione (PubChem CID 7365686) has the molecular formula C18H32N4O3 and a molecular weight of 352.48 g/mol. Its IUPAC name is 5-[N-[(2S)-5-(diethylamino)pentan-2-yl]-C-ethylcarbonimidoyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-[N-[(2S)-5-(diethylamino)pentan-2-yl]-C-ethylcarbonimidoyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
PubChem CID7365686
Molecular FormulaC18H32N4O3
Molecular Weight352.48 g/mol
Exact Mass352.25
IUPAC Name5-[N-[(2S)-5-(diethylamino)pentan-2-yl]-C-ethylcarbonimidoyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
SMILESCC/C(=N\[C@@H](C)CCCN(CC)CC)C1C(=O)N(C)C(=O)N(C)C1=O
InChIInChI=1S/C18H32N4O3/c1-7-14(19-13(4)11-10-12-22(8-2)9-3)15-16(23)20(5)18(25)21(6)17(15)24/h13,15H,7-12H2,1-6H3/b19-14+/t13-/m0/s1
InChIKeyPVDFXKSRWQXPFR-AZDDOORDSA-N
XLogP2.01
TPSA73.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

[(4R)-4-[1-(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-yl)ethylideneamino]pentyl]-diethylazanium
CID 7048851
5-[N-[(2R)-5-(diethylamino)pentan-2-yl]-C-methylcarbonimidoyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
CID 7048852
[(4S)-4-[1-(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-yl)ethylideneamino]pentyl]-diethylazanium
CID 7048853
5-[N-[(2S)-5-(diethylamino)pentan-2-yl]-C-methylcarbonimidoyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
CID 7048854
5-[N-[2-(diethylamino)ethyl]-C-ethylcarbonimidoyl]-1,3-diazinane-2,4,6-trione
CID 7252759
diethyl-[(4S)-4-[1-(2,4,6-trioxo-1,3-diazinan-5-yl)propylideneamino]pentyl]azanium
CID 7282533
5-[N-[(2S)-5-(diethylamino)pentan-2-yl]-C-ethylcarbonimidoyl]-1,3-diazinane-2,4,6-trione
CID 7282534
diethyl-[(4R)-4-[1-(2,4,6-trioxo-1,3-diazinan-5-yl)propylideneamino]pentyl]azanium
CID 7282535
5-[N-[(2R)-5-(diethylamino)pentan-2-yl]-C-ethylcarbonimidoyl]-1,3-diazinane-2,4,6-trione
CID 7282536
5-[C-ethyl-N-(2-piperidin-1-ylethyl)carbonimidoyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
CID 7364535
[(4S)-4-[1-(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-yl)propylideneamino]pentyl]-diethylazanium
CID 7365685
[(4R)-4-[1-(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-yl)propylideneamino]pentyl]-diethylazanium
CID 7365689

Frequently Asked Questions

What is the IUPAC name of 5-[N-[(2S)-5-(diethylamino)pentan-2-yl]-C-ethylcarbonimidoyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-[N-[(2S)-5-(diethylamino)pentan-2-yl]-C-ethylcarbonimidoyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione (CID 7365686) is 5-[N-[(2S)-5-(diethylamino)pentan-2-yl]-C-ethylcarbonimidoyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-[N-[(2S)-5-(diethylamino)pentan-2-yl]-C-ethylcarbonimidoyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-[N-[(2S)-5-(diethylamino)pentan-2-yl]-C-ethylcarbonimidoyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione is CC/C(=N\[C@@H](C)CCCN(CC)CC)C1C(=O)N(C)C(=O)N(C)C1=O.
What is the InChIKey of 5-[N-[(2S)-5-(diethylamino)pentan-2-yl]-C-ethylcarbonimidoyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione?
The InChIKey is PVDFXKSRWQXPFR-AZDDOORDSA-N. The full InChI is InChI=1S/C18H32N4O3/c1-7-14(19-13(4)11-10-12-22(8-2)9-3)15-16(23)20(5)18(25)21(6)17(15)24/h13,15H,7-12H2,1-6H3/b19-14+/t13-/m0/s1.
What are the key properties of 5-[N-[(2S)-5-(diethylamino)pentan-2-yl]-C-ethylcarbonimidoyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione?
5-[N-[(2S)-5-(diethylamino)pentan-2-yl]-C-ethylcarbonimidoyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione has a molecular weight of 352.48 g/mol, XLogP of 2.01, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[N-[(2S)-5-(diethylamino)pentan-2-yl]-C-ethylcarbonimidoyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 7365686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).