ditert-butyl 4,4,6,6-tetramethyldiazepane-1,2-dicarboxylate

C19H36N2O4 — CID 143288061

IUPACditert-butyl 4,4,6,6-tetramethyldiazepane-1,2-dicarboxylate
SMILESCC1(C)CN(C(=O)OC(C)(C)C)N(C(=O)OC(C)(C)C)CC(C)(C)C1
InChIInChI=1S/C19H36N2O4/c1-16(2,3)24-14(22)20-12-18(7,8)11-19(9,10)13-21(20)15(23)25-17(4,5)6/h11-13H2,1-10H3
InChIKeyNWIZBVAZWDELJO-UHFFFAOYSA-N
MW356.51 g/mol
LogP4.83
Rot. Bonds

About ditert-butyl 4,4,6,6-tetramethyldiazepane-1,2-dicarboxylate

ditert-butyl 4,4,6,6-tetramethyldiazepane-1,2-dicarboxylate (PubChem CID 143288061) has the molecular formula C19H36N2O4 and a molecular weight of 356.51 g/mol. Its IUPAC name is ditert-butyl 4,4,6,6-tetramethyldiazepane-1,2-dicarboxylate.

Molecular Properties

Compound Nameditert-butyl 4,4,6,6-tetramethyldiazepane-1,2-dicarboxylate
PubChem CID143288061
Molecular FormulaC19H36N2O4
Molecular Weight356.51 g/mol
Exact Mass356.27
IUPAC Nameditert-butyl 4,4,6,6-tetramethyldiazepane-1,2-dicarboxylate
SMILESCC1(C)CN(C(=O)OC(C)(C)C)N(C(=O)OC(C)(C)C)CC(C)(C)C1
InChIInChI=1S/C19H36N2O4/c1-16(2,3)24-14(22)20-12-18(7,8)11-19(9,10)13-21(20)15(23)25-17(4,5)6/h11-13H2,1-10H3
InChIKeyNWIZBVAZWDELJO-UHFFFAOYSA-N
XLogP4.83
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.51
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ditert-butyl 4,4,6,6-tetramethyldiazepane-1,2-dicarboxylate with MolForge

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Related Compounds

2-[6,6,8,8,15,15,17,17-octamethyl-4,10,13-tris[(2-methylpropan-2-yl)oxycarbonyl]-1,4,10,13-tetrazacyclooctadec-1-yl]acetic acid
CID 123348269
(2S)-2-ethyl-4,4-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 123588161
tert-butyl 3-methoxy-3-methylazetidine-1-carboxylate
CID 58530249
ditert-butyl 6-hydroxy-6-methyl-1,4-diazepane-1,4-dicarboxylate
CID 89456794
tert-butyl 3a,6a-dimethyl-2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-5-carboxylate
CID 130003362
1-O-tert-butyl 3-O-methyl 5,5-difluoro-3-methylpiperidine-1,3-dicarboxylate
CID 162723963
tert-butyl 3-[(3,3,5,5-tetramethylcyclohexyl)amino]azetidine-1-carboxylate
CID 103965667
tert-butyl 4-(hydroxymethyl)-1-methyl-2-azabicyclo[2.1.1]hexane-2-carboxylate
CID 178200336
tert-butyl 2-acetyl-4,4-dimethylpyrrolidine-1-carboxylate
CID 76789699
zinc tert-butyl 3-methanidyl-3-methylpyrrolidine-1-carboxylate
CID 162464292
tert-butyl 3-methyl-2H-azete-1-carboxylate
CID 163575848
tert-butyl 6-hydroxy-3,3-dimethylazepane-1-carboxylate
CID 155258945

Frequently Asked Questions

What is the IUPAC name of ditert-butyl 4,4,6,6-tetramethyldiazepane-1,2-dicarboxylate?
The IUPAC name of ditert-butyl 4,4,6,6-tetramethyldiazepane-1,2-dicarboxylate (CID 143288061) is ditert-butyl 4,4,6,6-tetramethyldiazepane-1,2-dicarboxylate.
What is the SMILES notation for ditert-butyl 4,4,6,6-tetramethyldiazepane-1,2-dicarboxylate?
The canonical SMILES for ditert-butyl 4,4,6,6-tetramethyldiazepane-1,2-dicarboxylate is CC1(C)CN(C(=O)OC(C)(C)C)N(C(=O)OC(C)(C)C)CC(C)(C)C1.
What is the InChIKey of ditert-butyl 4,4,6,6-tetramethyldiazepane-1,2-dicarboxylate?
The InChIKey is NWIZBVAZWDELJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N2O4/c1-16(2,3)24-14(22)20-12-18(7,8)11-19(9,10)13-21(20)15(23)25-17(4,5)6/h11-13H2,1-10H3.
What are the key properties of ditert-butyl 4,4,6,6-tetramethyldiazepane-1,2-dicarboxylate?
ditert-butyl 4,4,6,6-tetramethyldiazepane-1,2-dicarboxylate has a molecular weight of 356.51 g/mol, XLogP of 4.83, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ditert-butyl 4,4,6,6-tetramethyldiazepane-1,2-dicarboxylate is sourced from PubChem (CID 143288061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).