5-tert-butyl-1,3-diethyl-1,3,5-triazinan-2-one

C11H23N3O — CID 15122837

IUPAC5-tert-butyl-1,3-diethyl-1,3,5-triazinan-2-one
SMILESCCN1CN(C(C)(C)C)CN(CC)C1=O
InChIInChI=1S/C11H23N3O/c1-6-12-8-14(11(3,4)5)9-13(7-2)10(12)15/h6-9H2,1-5H3
InChIKeyNKHORGAOEHEEMP-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.78
Rot. Bonds2

About 5-tert-butyl-1,3-diethyl-1,3,5-triazinan-2-one

5-tert-butyl-1,3-diethyl-1,3,5-triazinan-2-one (PubChem CID 15122837) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is 5-tert-butyl-1,3-diethyl-1,3,5-triazinan-2-one.

Molecular Properties

Compound Name5-tert-butyl-1,3-diethyl-1,3,5-triazinan-2-one
PubChem CID15122837
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC Name5-tert-butyl-1,3-diethyl-1,3,5-triazinan-2-one
SMILESCCN1CN(C(C)(C)C)CN(CC)C1=O
InChIInChI=1S/C11H23N3O/c1-6-12-8-14(11(3,4)5)9-13(7-2)10(12)15/h6-9H2,1-5H3
InChIKeyNKHORGAOEHEEMP-UHFFFAOYSA-N
XLogP1.78
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,3,5-tripropyl-1,3,5-triazine-2,4,6(1H,3H,5H)-trione
CID 77630
Tetrahydro-1,3,5,5-tetramethyl-1H-pyrimidin-2-one
CID 3015520
1,3,5-Tri(propan-2-yl)-1,3,5-triazinane-2,4-dione
CID 21574862
1,3,5-Tri(propan-2-yl)-1,3,5-triazinane-2,4,6-trione
CID 13059222
1,3-Dimethyl-5-propan-2-yl-1,3,5-triazinan-2-one
CID 15395303
1,3,5-Tripropyl-1,3,5-triazinane-2,4-dione
CID 21574859
1,3-Dimethyl-5-propyl-1,3,5-triazinan-2-one
CID 11788545
3,5-Ditert-butyl-1,3,5-triazinane-1-carbaldehyde
CID 14638327
5-Butan-2-yl-1,3-dimethyl-1,3,5-triazinan-2-one
CID 15395305
1,3,5-Triazine-1,3-dicarboxaldehyde, hexahydro-5-tert-butyl-
CID 550706
1,3,5-Tris(2-methylpropyl)-1,3,5-triazinane-2,4-dione
CID 21574861
1,5-Diethyl-3-(2-methylpropyl)-1,3,5-triazinane-2,4-dione
CID 21574865

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-1,3-diethyl-1,3,5-triazinan-2-one?
The IUPAC name of 5-tert-butyl-1,3-diethyl-1,3,5-triazinan-2-one (CID 15122837) is 5-tert-butyl-1,3-diethyl-1,3,5-triazinan-2-one.
What is the SMILES notation for 5-tert-butyl-1,3-diethyl-1,3,5-triazinan-2-one?
The canonical SMILES for 5-tert-butyl-1,3-diethyl-1,3,5-triazinan-2-one is CCN1CN(C(C)(C)C)CN(CC)C1=O.
What is the InChIKey of 5-tert-butyl-1,3-diethyl-1,3,5-triazinan-2-one?
The InChIKey is NKHORGAOEHEEMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O/c1-6-12-8-14(11(3,4)5)9-13(7-2)10(12)15/h6-9H2,1-5H3.
What are the key properties of 5-tert-butyl-1,3-diethyl-1,3,5-triazinan-2-one?
5-tert-butyl-1,3-diethyl-1,3,5-triazinan-2-one has a molecular weight of 213.32 g/mol, XLogP of 1.78, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-1,3-diethyl-1,3,5-triazinan-2-one is sourced from PubChem (CID 15122837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).