tert-butyl 2-(3,3-dimethylbutanoyl)diazinane-1-carboxylate

C15H28N2O3 — CID 70887515

IUPACtert-butyl 2-(3,3-dimethylbutanoyl)diazinane-1-carboxylate
SMILESCC(C)(C)CC(=O)N1CCCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C15H28N2O3/c1-14(2,3)11-12(18)16-9-7-8-10-17(16)13(19)20-15(4,5)6/h7-11H2,1-6H3
InChIKeyBFCUDZIQVGHPBG-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.20
Rot. Bonds1

About tert-butyl 2-(3,3-dimethylbutanoyl)diazinane-1-carboxylate

tert-butyl 2-(3,3-dimethylbutanoyl)diazinane-1-carboxylate (PubChem CID 70887515) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is tert-butyl 2-(3,3-dimethylbutanoyl)diazinane-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-(3,3-dimethylbutanoyl)diazinane-1-carboxylate
PubChem CID70887515
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Nametert-butyl 2-(3,3-dimethylbutanoyl)diazinane-1-carboxylate
SMILESCC(C)(C)CC(=O)N1CCCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C15H28N2O3/c1-14(2,3)11-12(18)16-9-7-8-10-17(16)13(19)20-15(4,5)6/h7-11H2,1-6H3
InChIKeyBFCUDZIQVGHPBG-UHFFFAOYSA-N
XLogP3.20
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(3,3-dimethylbutanoyl)diazinane-1-carboxylate?
The IUPAC name of tert-butyl 2-(3,3-dimethylbutanoyl)diazinane-1-carboxylate (CID 70887515) is tert-butyl 2-(3,3-dimethylbutanoyl)diazinane-1-carboxylate.
What is the SMILES notation for tert-butyl 2-(3,3-dimethylbutanoyl)diazinane-1-carboxylate?
The canonical SMILES for tert-butyl 2-(3,3-dimethylbutanoyl)diazinane-1-carboxylate is CC(C)(C)CC(=O)N1CCCCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-(3,3-dimethylbutanoyl)diazinane-1-carboxylate?
The InChIKey is BFCUDZIQVGHPBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-14(2,3)11-12(18)16-9-7-8-10-17(16)13(19)20-15(4,5)6/h7-11H2,1-6H3.
What are the key properties of tert-butyl 2-(3,3-dimethylbutanoyl)diazinane-1-carboxylate?
tert-butyl 2-(3,3-dimethylbutanoyl)diazinane-1-carboxylate has a molecular weight of 284.40 g/mol, XLogP of 3.20, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(3,3-dimethylbutanoyl)diazinane-1-carboxylate is sourced from PubChem (CID 70887515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).