4,6-dimethyl-1,3-diazocane-5,6-diol

C8H18N2O2 — CID 175526698

IUPAC4,6-dimethyl-1,3-diazocane-5,6-diol
SMILESCC1NCNCCC(C)(O)C1O
InChIInChI=1S/C8H18N2O2/c1-6-7(11)8(2,12)3-4-9-5-10-6/h6-7,9-12H,3-5H2,1-2H3
InChIKeyAPJJGDIRAQAXPU-UHFFFAOYSA-N
MW174.24 g/mol
LogP-0.97
Rot. Bonds

About 4,6-dimethyl-1,3-diazocane-5,6-diol

4,6-dimethyl-1,3-diazocane-5,6-diol (PubChem CID 175526698) has the molecular formula C8H18N2O2 and a molecular weight of 174.24 g/mol. Its IUPAC name is 4,6-dimethyl-1,3-diazocane-5,6-diol.

Molecular Properties

Compound Name4,6-dimethyl-1,3-diazocane-5,6-diol
PubChem CID175526698
Molecular FormulaC8H18N2O2
Molecular Weight174.24 g/mol
Exact Mass174.14
IUPAC Name4,6-dimethyl-1,3-diazocane-5,6-diol
SMILESCC1NCNCCC(C)(O)C1O
InChIInChI=1S/C8H18N2O2/c1-6-7(11)8(2,12)3-4-9-5-10-6/h6-7,9-12H,3-5H2,1-2H3
InChIKeyAPJJGDIRAQAXPU-UHFFFAOYSA-N
XLogP-0.97
TPSA64.52 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 5-0.97
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-1,3-diazocane-5,6-diol?
The IUPAC name of 4,6-dimethyl-1,3-diazocane-5,6-diol (CID 175526698) is 4,6-dimethyl-1,3-diazocane-5,6-diol.
What is the SMILES notation for 4,6-dimethyl-1,3-diazocane-5,6-diol?
The canonical SMILES for 4,6-dimethyl-1,3-diazocane-5,6-diol is CC1NCNCCC(C)(O)C1O.
What is the InChIKey of 4,6-dimethyl-1,3-diazocane-5,6-diol?
The InChIKey is APJJGDIRAQAXPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2/c1-6-7(11)8(2,12)3-4-9-5-10-6/h6-7,9-12H,3-5H2,1-2H3.
What are the key properties of 4,6-dimethyl-1,3-diazocane-5,6-diol?
4,6-dimethyl-1,3-diazocane-5,6-diol has a molecular weight of 174.24 g/mol, XLogP of -0.97, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-1,3-diazocane-5,6-diol is sourced from PubChem (CID 175526698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).