1-tert-butyl-3-(6,6-dimethylheptoxy)azetidine

C16H33NO — CID 153320483

IUPAC1-tert-butyl-3-(6,6-dimethylheptoxy)azetidine
SMILESCC(C)(C)CCCCCOC1CN(C(C)(C)C)C1
InChIInChI=1S/C16H33NO/c1-15(2,3)10-8-7-9-11-18-14-12-17(13-14)16(4,5)6/h14H,7-13H2,1-6H3
InChIKeyHBMXBDKMFIYMBP-UHFFFAOYSA-N
MW255.45 g/mol
LogP4.09
Rot. Bonds6

About 1-tert-butyl-3-(6,6-dimethylheptoxy)azetidine

1-tert-butyl-3-(6,6-dimethylheptoxy)azetidine (PubChem CID 153320483) has the molecular formula C16H33NO and a molecular weight of 255.45 g/mol. Its IUPAC name is 1-tert-butyl-3-(6,6-dimethylheptoxy)azetidine.

Molecular Properties

Compound Name1-tert-butyl-3-(6,6-dimethylheptoxy)azetidine
PubChem CID153320483
Molecular FormulaC16H33NO
Molecular Weight255.45 g/mol
Exact Mass255.26
IUPAC Name1-tert-butyl-3-(6,6-dimethylheptoxy)azetidine
SMILESCC(C)(C)CCCCCOC1CN(C(C)(C)C)C1
InChIInChI=1S/C16H33NO/c1-15(2,3)10-8-7-9-11-18-14-12-17(13-14)16(4,5)6/h14H,7-13H2,1-6H3
InChIKeyHBMXBDKMFIYMBP-UHFFFAOYSA-N
XLogP4.09
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.45
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-(6,6-dimethylheptoxy)azetidine?
The IUPAC name of 1-tert-butyl-3-(6,6-dimethylheptoxy)azetidine (CID 153320483) is 1-tert-butyl-3-(6,6-dimethylheptoxy)azetidine.
What is the SMILES notation for 1-tert-butyl-3-(6,6-dimethylheptoxy)azetidine?
The canonical SMILES for 1-tert-butyl-3-(6,6-dimethylheptoxy)azetidine is CC(C)(C)CCCCCOC1CN(C(C)(C)C)C1.
What is the InChIKey of 1-tert-butyl-3-(6,6-dimethylheptoxy)azetidine?
The InChIKey is HBMXBDKMFIYMBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO/c1-15(2,3)10-8-7-9-11-18-14-12-17(13-14)16(4,5)6/h14H,7-13H2,1-6H3.
What are the key properties of 1-tert-butyl-3-(6,6-dimethylheptoxy)azetidine?
1-tert-butyl-3-(6,6-dimethylheptoxy)azetidine has a molecular weight of 255.45 g/mol, XLogP of 4.09, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-(6,6-dimethylheptoxy)azetidine is sourced from PubChem (CID 153320483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).