tert-butyl 6-(methoxymethoxy)-1,5-dimethyl-3,8-diazabicyclo[3.2.1]octane-8-carboxylate

C15H28N2O4 — CID 171770114

IUPACtert-butyl 6-(methoxymethoxy)-1,5-dimethyl-3,8-diazabicyclo[3.2.1]octane-8-carboxylate
SMILESCOCOC1CC2(C)CNCC1(C)N2C(=O)OC(C)(C)C
InChIInChI=1S/C15H28N2O4/c1-13(2,3)21-12(18)17-14(4)7-11(20-10-19-6)15(17,5)9-16-8-14/h11,16H,7-10H2,1-6H3
InChIKeyHNLGHXGJCDTKER-UHFFFAOYSA-N
MW300.40 g/mol
LogP1.74
Rot. Bonds3

About tert-butyl 6-(methoxymethoxy)-1,5-dimethyl-3,8-diazabicyclo[3.2.1]octane-8-carboxylate

tert-butyl 6-(methoxymethoxy)-1,5-dimethyl-3,8-diazabicyclo[3.2.1]octane-8-carboxylate (PubChem CID 171770114) has the molecular formula C15H28N2O4 and a molecular weight of 300.40 g/mol. Its IUPAC name is tert-butyl 6-(methoxymethoxy)-1,5-dimethyl-3,8-diazabicyclo[3.2.1]octane-8-carboxylate.

Molecular Properties

Compound Nametert-butyl 6-(methoxymethoxy)-1,5-dimethyl-3,8-diazabicyclo[3.2.1]octane-8-carboxylate
PubChem CID171770114
Molecular FormulaC15H28N2O4
Molecular Weight300.40 g/mol
Exact Mass300.20
IUPAC Nametert-butyl 6-(methoxymethoxy)-1,5-dimethyl-3,8-diazabicyclo[3.2.1]octane-8-carboxylate
SMILESCOCOC1CC2(C)CNCC1(C)N2C(=O)OC(C)(C)C
InChIInChI=1S/C15H28N2O4/c1-13(2,3)21-12(18)17-14(4)7-11(20-10-19-6)15(17,5)9-16-8-14/h11,16H,7-10H2,1-6H3
InChIKeyHNLGHXGJCDTKER-UHFFFAOYSA-N
XLogP1.74
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

tert-butyl (1R,5S)-6-methoxy-1,5-dimethyl-3,8-diazabicyclo[3.2.1]octane-8-carboxylate
CID 171769897
tert-butyl 3a,6a-dimethyl-2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-5-carboxylate
CID 130003362
4-(methoxymethyl)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 123649695
tert-butyl (1S,3R)-3-amino-1-methyl-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 167370049
tert-butyl (1S,2R,5R)-2-fluoro-1,5-dimethyl-3-oxo-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 154677157
tert-butyl 1-methyl-2,8-diazabicyclo[5.2.0]nonane-2-carboxylate
CID 130114811
tert-butyl (4S)-4-(2-aminoethyl)-2,2-dimethylpyrrolidine-1-carboxylate
CID 139416435
tert-butyl (1R,3R,4R)-3-amino-4-fluoro-1-methyl-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 167369795
tert-butyl 2,2-dimethyl-4-propylpyrrolidine-1-carboxylate
CID 153335647
tert-butyl 2-cyclopropyl-2,5,5-trimethylpiperazine-1-carboxylate
CID 90013519
tert-butyl 2,2-dimethylpiperazine-1-carboxylate;hydrochloride
CID 71607196
tert-butyl N-[(3-fluoroazetidin-3-yl)methyl]carbamate;hydrochloride
CID 118998436

Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-(methoxymethoxy)-1,5-dimethyl-3,8-diazabicyclo[3.2.1]octane-8-carboxylate?
The IUPAC name of tert-butyl 6-(methoxymethoxy)-1,5-dimethyl-3,8-diazabicyclo[3.2.1]octane-8-carboxylate (CID 171770114) is tert-butyl 6-(methoxymethoxy)-1,5-dimethyl-3,8-diazabicyclo[3.2.1]octane-8-carboxylate.
What is the SMILES notation for tert-butyl 6-(methoxymethoxy)-1,5-dimethyl-3,8-diazabicyclo[3.2.1]octane-8-carboxylate?
The canonical SMILES for tert-butyl 6-(methoxymethoxy)-1,5-dimethyl-3,8-diazabicyclo[3.2.1]octane-8-carboxylate is COCOC1CC2(C)CNCC1(C)N2C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 6-(methoxymethoxy)-1,5-dimethyl-3,8-diazabicyclo[3.2.1]octane-8-carboxylate?
The InChIKey is HNLGHXGJCDTKER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O4/c1-13(2,3)21-12(18)17-14(4)7-11(20-10-19-6)15(17,5)9-16-8-14/h11,16H,7-10H2,1-6H3.
What are the key properties of tert-butyl 6-(methoxymethoxy)-1,5-dimethyl-3,8-diazabicyclo[3.2.1]octane-8-carboxylate?
tert-butyl 6-(methoxymethoxy)-1,5-dimethyl-3,8-diazabicyclo[3.2.1]octane-8-carboxylate has a molecular weight of 300.40 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6-(methoxymethoxy)-1,5-dimethyl-3,8-diazabicyclo[3.2.1]octane-8-carboxylate is sourced from PubChem (CID 171770114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).