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

C24H49N8O2+ — CID 158097661

IUPACpropan-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
SMILESCC(C)/N=C1\NC(C)(C)N(C)C(=O)N1C(C)C.CC(C)/[NH+]=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)/p+1
InChIKeyWCHRWLRIMIXFRS-UHFFFAOYSA-O
MW481.71 g/mol
LogP1.79
Rot. Bonds4

About 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

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 (PubChem CID 158097661) has the molecular formula C24H49N8O2+ and a molecular weight of 481.71 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Namepropan-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
PubChem CID158097661
Molecular FormulaC24H49N8O2+
Molecular Weight481.71 g/mol
Exact Mass481.40
IUPAC Namepropan-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
SMILESCC(C)/N=C1\NC(C)(C)N(C)C(=O)N1C(C)C.CC(C)/[NH+]=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)/p+1
InChIKeyWCHRWLRIMIXFRS-UHFFFAOYSA-O
XLogP1.79
TPSA97.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.71
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Launch Full Analysis

Related Compounds

3,4,4-Trimethyl-1-propan-2-yl-6-propan-2-ylimino-1,3,5-triazinan-2-one
CID 161465016

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)/N=C1\NC(C)(C)N(C)C(=O)N1C(C)C.CC(C)/[NH+]=C1\NC(C)(C)N(C)C(=O)N1C(C)C.
What is the InChIKey of 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?
The InChIKey is WCHRWLRIMIXFRS-UHFFFAOYSA-O. 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)/p+1.
What are the key properties of 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?
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 has a molecular weight of 481.71 g/mol, XLogP of 1.79, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158097661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).