1-(3,4,6,7-tetrahydro-2H-1,5-diazocin-5-yl)ethanol

C8H16N2O — CID 174253714

IUPAC1-(3,4,6,7-tetrahydro-2H-1,5-diazocin-5-yl)ethanol
SMILESCC(O)N1CC/C=N\CCC1
InChIInChI=1S/C8H16N2O/c1-8(11)10-6-2-4-9-5-3-7-10/h4,8,11H,2-3,5-7H2,1H3/b9-4-
InChIKeyQHRZMYLWBCRTGY-WTKPLQERSA-N
MW156.23 g/mol
LogP0.49
Rot. Bonds1

About 1-(3,4,6,7-tetrahydro-2H-1,5-diazocin-5-yl)ethanol

1-(3,4,6,7-tetrahydro-2H-1,5-diazocin-5-yl)ethanol (PubChem CID 174253714) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is 1-(3,4,6,7-tetrahydro-2H-1,5-diazocin-5-yl)ethanol.

Molecular Properties

Compound Name1-(3,4,6,7-tetrahydro-2H-1,5-diazocin-5-yl)ethanol
PubChem CID174253714
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name1-(3,4,6,7-tetrahydro-2H-1,5-diazocin-5-yl)ethanol
SMILESCC(O)N1CC/C=N\CCC1
InChIInChI=1S/C8H16N2O/c1-8(11)10-6-2-4-9-5-3-7-10/h4,8,11H,2-3,5-7H2,1H3/b9-4-
InChIKeyQHRZMYLWBCRTGY-WTKPLQERSA-N
XLogP0.49
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4,6,7-tetrahydro-2H-1,5-diazocin-5-yl)ethanol?
The IUPAC name of 1-(3,4,6,7-tetrahydro-2H-1,5-diazocin-5-yl)ethanol (CID 174253714) is 1-(3,4,6,7-tetrahydro-2H-1,5-diazocin-5-yl)ethanol.
What is the SMILES notation for 1-(3,4,6,7-tetrahydro-2H-1,5-diazocin-5-yl)ethanol?
The canonical SMILES for 1-(3,4,6,7-tetrahydro-2H-1,5-diazocin-5-yl)ethanol is CC(O)N1CC/C=N\CCC1.
What is the InChIKey of 1-(3,4,6,7-tetrahydro-2H-1,5-diazocin-5-yl)ethanol?
The InChIKey is QHRZMYLWBCRTGY-WTKPLQERSA-N. The full InChI is InChI=1S/C8H16N2O/c1-8(11)10-6-2-4-9-5-3-7-10/h4,8,11H,2-3,5-7H2,1H3/b9-4-.
What are the key properties of 1-(3,4,6,7-tetrahydro-2H-1,5-diazocin-5-yl)ethanol?
1-(3,4,6,7-tetrahydro-2H-1,5-diazocin-5-yl)ethanol has a molecular weight of 156.23 g/mol, XLogP of 0.49, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4,6,7-tetrahydro-2H-1,5-diazocin-5-yl)ethanol is sourced from PubChem (CID 174253714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).