1-(7,15-diazadispiro[5.1.58.36]hexadecan-15-yl)ethanone

C16H28N2O — CID 15557882

IUPAC1-(7,15-diazadispiro[5.1.58.36]hexadecan-15-yl)ethanone
SMILESCC(=O)N1CC2(CCCCC2)NC2(CCCCC2)C1
InChIInChI=1S/C16H28N2O/c1-14(19)18-12-15(8-4-2-5-9-15)17-16(13-18)10-6-3-7-11-16/h17H,2-13H2,1H3
InChIKeySVDAOAUSTKFESX-UHFFFAOYSA-N
MW264.41 g/mol
LogP2.84
Rot. Bonds

About 1-(7,15-diazadispiro[5.1.58.36]hexadecan-15-yl)ethanone

1-(7,15-diazadispiro[5.1.58.36]hexadecan-15-yl)ethanone (PubChem CID 15557882) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 1-(7,15-diazadispiro[5.1.58.36]hexadecan-15-yl)ethanone.

Molecular Properties

Compound Name1-(7,15-diazadispiro[5.1.58.36]hexadecan-15-yl)ethanone
PubChem CID15557882
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name1-(7,15-diazadispiro[5.1.58.36]hexadecan-15-yl)ethanone
SMILESCC(=O)N1CC2(CCCCC2)NC2(CCCCC2)C1
InChIInChI=1S/C16H28N2O/c1-14(19)18-12-15(8-4-2-5-9-15)17-16(13-18)10-6-3-7-11-16/h17H,2-13H2,1H3
InChIKeySVDAOAUSTKFESX-UHFFFAOYSA-N
XLogP2.84
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(7,15-diazadispiro[5.1.58.36]hexadecan-15-yl)ethanone?
The IUPAC name of 1-(7,15-diazadispiro[5.1.58.36]hexadecan-15-yl)ethanone (CID 15557882) is 1-(7,15-diazadispiro[5.1.58.36]hexadecan-15-yl)ethanone.
What is the SMILES notation for 1-(7,15-diazadispiro[5.1.58.36]hexadecan-15-yl)ethanone?
The canonical SMILES for 1-(7,15-diazadispiro[5.1.58.36]hexadecan-15-yl)ethanone is CC(=O)N1CC2(CCCCC2)NC2(CCCCC2)C1.
What is the InChIKey of 1-(7,15-diazadispiro[5.1.58.36]hexadecan-15-yl)ethanone?
The InChIKey is SVDAOAUSTKFESX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-14(19)18-12-15(8-4-2-5-9-15)17-16(13-18)10-6-3-7-11-16/h17H,2-13H2,1H3.
What are the key properties of 1-(7,15-diazadispiro[5.1.58.36]hexadecan-15-yl)ethanone?
1-(7,15-diazadispiro[5.1.58.36]hexadecan-15-yl)ethanone has a molecular weight of 264.41 g/mol, XLogP of 2.84, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7,15-diazadispiro[5.1.58.36]hexadecan-15-yl)ethanone is sourced from PubChem (CID 15557882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).