3,4,4-trimethyl-1-propan-2-yl-6-propan-2-ylimino-1,3,5-triazinan-2-one

C24H48N8O2 — CID 161465016

IUPAC3,4,4-trimethyl-1-propan-2-yl-6-propan-2-ylimino-1,3,5-triazinan-2-one
SMILESCC(C)/N=C1\NC(C)(C)N(C)C(=O)N1C(C)C.CC(C)/N=C1\NC(C)(C)N(C)C(=O)N1C(C)C
InChIInChI=1S/2C12H24N4O/c2*1-8(2)13-10-14-12(5,6)15(7)11(17)16(10)9(3)4/h2*8-9H,1-7H3,(H,13,14)
InChIKeyWCHRWLRIMIXFRS-UHFFFAOYSA-N
MW480.70 g/mol
LogP3.70
Rot. Bonds4

About 3,4,4-trimethyl-1-propan-2-yl-6-propan-2-ylimino-1,3,5-triazinan-2-one

3,4,4-trimethyl-1-propan-2-yl-6-propan-2-ylimino-1,3,5-triazinan-2-one (PubChem CID 161465016) has the molecular formula C24H48N8O2 and a molecular weight of 480.70 g/mol. Its IUPAC name is 3,4,4-trimethyl-1-propan-2-yl-6-propan-2-ylimino-1,3,5-triazinan-2-one.

Molecular Properties

Compound Name3,4,4-trimethyl-1-propan-2-yl-6-propan-2-ylimino-1,3,5-triazinan-2-one
PubChem CID161465016
Molecular FormulaC24H48N8O2
Molecular Weight480.70 g/mol
Exact Mass480.39
IUPAC Name3,4,4-trimethyl-1-propan-2-yl-6-propan-2-ylimino-1,3,5-triazinan-2-one
SMILESCC(C)/N=C1\NC(C)(C)N(C)C(=O)N1C(C)C.CC(C)/N=C1\NC(C)(C)N(C)C(=O)N1C(C)C
InChIInChI=1S/2C12H24N4O/c2*1-8(2)13-10-14-12(5,6)15(7)11(17)16(10)9(3)4/h2*8-9H,1-7H3,(H,13,14)
InChIKeyWCHRWLRIMIXFRS-UHFFFAOYSA-N
XLogP3.70
TPSA95.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.70
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

3,4,4-Trimethyl-1-propan-2-yl-6-propan-2-ylimino-1,3,5-triazinan-2-one
CID 136097729
Propan-2-yl-(4,4,5-trimethyl-6-oxo-1-propan-2-yl-1,3,5-triazinan-2-ylidene)azanium;3,4,4-trimethyl-1-propan-2-yl-6-propan-2-ylimino-1,3,5-triazinan-2-one
CID 158097661

Frequently Asked Questions

What is the IUPAC name of 3,4,4-trimethyl-1-propan-2-yl-6-propan-2-ylimino-1,3,5-triazinan-2-one?
The IUPAC name of 3,4,4-trimethyl-1-propan-2-yl-6-propan-2-ylimino-1,3,5-triazinan-2-one (CID 161465016) is 3,4,4-trimethyl-1-propan-2-yl-6-propan-2-ylimino-1,3,5-triazinan-2-one.
What is the SMILES notation for 3,4,4-trimethyl-1-propan-2-yl-6-propan-2-ylimino-1,3,5-triazinan-2-one?
The canonical SMILES for 3,4,4-trimethyl-1-propan-2-yl-6-propan-2-ylimino-1,3,5-triazinan-2-one is CC(C)/N=C1\NC(C)(C)N(C)C(=O)N1C(C)C.CC(C)/N=C1\NC(C)(C)N(C)C(=O)N1C(C)C.
What is the InChIKey of 3,4,4-trimethyl-1-propan-2-yl-6-propan-2-ylimino-1,3,5-triazinan-2-one?
The InChIKey is WCHRWLRIMIXFRS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H24N4O/c2*1-8(2)13-10-14-12(5,6)15(7)11(17)16(10)9(3)4/h2*8-9H,1-7H3,(H,13,14).
What are the key properties of 3,4,4-trimethyl-1-propan-2-yl-6-propan-2-ylimino-1,3,5-triazinan-2-one?
3,4,4-trimethyl-1-propan-2-yl-6-propan-2-ylimino-1,3,5-triazinan-2-one has a molecular weight of 480.70 g/mol, XLogP of 3.70, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,4-trimethyl-1-propan-2-yl-6-propan-2-ylimino-1,3,5-triazinan-2-one is sourced from PubChem (CID 161465016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).