4,4,8,8-tetramethyl-1,3-diazocane

C10H22N2 — CID 140916782

IUPAC4,4,8,8-tetramethyl-1,3-diazocane
SMILESCC1(C)CCCC(C)(C)NCN1
InChIInChI=1S/C10H22N2/c1-9(2)6-5-7-10(3,4)12-8-11-9/h11-12H,5-8H2,1-4H3
InChIKeyGFHUCOFRVVVOTI-UHFFFAOYSA-N
MW170.30 g/mol
LogP1.86
Rot. Bonds

About 4,4,8,8-tetramethyl-1,3-diazocane

4,4,8,8-tetramethyl-1,3-diazocane (PubChem CID 140916782) has the molecular formula C10H22N2 and a molecular weight of 170.30 g/mol. Its IUPAC name is 4,4,8,8-tetramethyl-1,3-diazocane.

Molecular Properties

Compound Name4,4,8,8-tetramethyl-1,3-diazocane
PubChem CID140916782
Molecular FormulaC10H22N2
Molecular Weight170.30 g/mol
Exact Mass170.18
IUPAC Name4,4,8,8-tetramethyl-1,3-diazocane
SMILESCC1(C)CCCC(C)(C)NCN1
InChIInChI=1S/C10H22N2/c1-9(2)6-5-7-10(3,4)12-8-11-9/h11-12H,5-8H2,1-4H3
InChIKeyGFHUCOFRVVVOTI-UHFFFAOYSA-N
XLogP1.86
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,4,8,8-tetramethyl-1,3-diazocane?
The IUPAC name of 4,4,8,8-tetramethyl-1,3-diazocane (CID 140916782) is 4,4,8,8-tetramethyl-1,3-diazocane.
What is the SMILES notation for 4,4,8,8-tetramethyl-1,3-diazocane?
The canonical SMILES for 4,4,8,8-tetramethyl-1,3-diazocane is CC1(C)CCCC(C)(C)NCN1.
What is the InChIKey of 4,4,8,8-tetramethyl-1,3-diazocane?
The InChIKey is GFHUCOFRVVVOTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2/c1-9(2)6-5-7-10(3,4)12-8-11-9/h11-12H,5-8H2,1-4H3.
What are the key properties of 4,4,8,8-tetramethyl-1,3-diazocane?
4,4,8,8-tetramethyl-1,3-diazocane has a molecular weight of 170.30 g/mol, XLogP of 1.86, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,8,8-tetramethyl-1,3-diazocane is sourced from PubChem (CID 140916782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).