1-(5-tert-butyl-1,5-diazocan-1-yl)ethanone

C12H24N2O — CID 59290981

IUPAC1-(5-tert-butyl-1,5-diazocan-1-yl)ethanone
SMILESCC(=O)N1CCCN(C(C)(C)C)CCC1
InChIInChI=1S/C12H24N2O/c1-11(15)13-7-5-9-14(10-6-8-13)12(2,3)4/h5-10H2,1-4H3
InChIKeyPUCSRFQLEDZCPQ-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.73
Rot. Bonds

About 1-(5-tert-butyl-1,5-diazocan-1-yl)ethanone

1-(5-tert-butyl-1,5-diazocan-1-yl)ethanone (PubChem CID 59290981) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 1-(5-tert-butyl-1,5-diazocan-1-yl)ethanone.

Molecular Properties

Compound Name1-(5-tert-butyl-1,5-diazocan-1-yl)ethanone
PubChem CID59290981
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name1-(5-tert-butyl-1,5-diazocan-1-yl)ethanone
SMILESCC(=O)N1CCCN(C(C)(C)C)CCC1
InChIInChI=1S/C12H24N2O/c1-11(15)13-7-5-9-14(10-6-8-13)12(2,3)4/h5-10H2,1-4H3
InChIKeyPUCSRFQLEDZCPQ-UHFFFAOYSA-N
XLogP1.73
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5-tert-butyl-1,5-diazocan-1-yl)ethanone?
The IUPAC name of 1-(5-tert-butyl-1,5-diazocan-1-yl)ethanone (CID 59290981) is 1-(5-tert-butyl-1,5-diazocan-1-yl)ethanone.
What is the SMILES notation for 1-(5-tert-butyl-1,5-diazocan-1-yl)ethanone?
The canonical SMILES for 1-(5-tert-butyl-1,5-diazocan-1-yl)ethanone is CC(=O)N1CCCN(C(C)(C)C)CCC1.
What is the InChIKey of 1-(5-tert-butyl-1,5-diazocan-1-yl)ethanone?
The InChIKey is PUCSRFQLEDZCPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-11(15)13-7-5-9-14(10-6-8-13)12(2,3)4/h5-10H2,1-4H3.
What are the key properties of 1-(5-tert-butyl-1,5-diazocan-1-yl)ethanone?
1-(5-tert-butyl-1,5-diazocan-1-yl)ethanone has a molecular weight of 212.34 g/mol, XLogP of 1.73, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-tert-butyl-1,5-diazocan-1-yl)ethanone is sourced from PubChem (CID 59290981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).