1-tert-butyl-1,4-diazocan-2-one

C10H20N2O — CID 20703223

IUPAC1-tert-butyl-1,4-diazocan-2-one
SMILESCC(C)(C)N1CCCCNCC1=O
InChIInChI=1S/C10H20N2O/c1-10(2,3)12-7-5-4-6-11-8-9(12)13/h11H,4-8H2,1-3H3
InChIKeyNGSHDGBYFPENGS-UHFFFAOYSA-N
MW184.28 g/mol
LogP1.00
Rot. Bonds

About 1-tert-butyl-1,4-diazocan-2-one

1-tert-butyl-1,4-diazocan-2-one (PubChem CID 20703223) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 1-tert-butyl-1,4-diazocan-2-one.

Molecular Properties

Compound Name1-tert-butyl-1,4-diazocan-2-one
PubChem CID20703223
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name1-tert-butyl-1,4-diazocan-2-one
SMILESCC(C)(C)N1CCCCNCC1=O
InChIInChI=1S/C10H20N2O/c1-10(2,3)12-7-5-4-6-11-8-9(12)13/h11H,4-8H2,1-3H3
InChIKeyNGSHDGBYFPENGS-UHFFFAOYSA-N
XLogP1.00
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-1,4-diazocan-2-one?
The IUPAC name of 1-tert-butyl-1,4-diazocan-2-one (CID 20703223) is 1-tert-butyl-1,4-diazocan-2-one.
What is the SMILES notation for 1-tert-butyl-1,4-diazocan-2-one?
The canonical SMILES for 1-tert-butyl-1,4-diazocan-2-one is CC(C)(C)N1CCCCNCC1=O.
What is the InChIKey of 1-tert-butyl-1,4-diazocan-2-one?
The InChIKey is NGSHDGBYFPENGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-10(2,3)12-7-5-4-6-11-8-9(12)13/h11H,4-8H2,1-3H3.
What are the key properties of 1-tert-butyl-1,4-diazocan-2-one?
1-tert-butyl-1,4-diazocan-2-one has a molecular weight of 184.28 g/mol, XLogP of 1.00, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-1,4-diazocan-2-one is sourced from PubChem (CID 20703223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).