6,6-dimethyl-1,4-diazocane

C8H18N2 — CID 139442519

IUPAC6,6-dimethyl-1,4-diazocane
SMILESCC1(C)CCNCCNC1
InChIInChI=1S/C8H18N2/c1-8(2)3-4-9-5-6-10-7-8/h9-10H,3-7H2,1-2H3
InChIKeyMIKWYYDCBPEPCX-UHFFFAOYSA-N
MW142.25 g/mol
LogP0.60
Rot. Bonds

About 6,6-dimethyl-1,4-diazocane

6,6-dimethyl-1,4-diazocane (PubChem CID 139442519) has the molecular formula C8H18N2 and a molecular weight of 142.25 g/mol. Its IUPAC name is 6,6-dimethyl-1,4-diazocane.

Molecular Properties

Compound Name6,6-dimethyl-1,4-diazocane
PubChem CID139442519
Molecular FormulaC8H18N2
Molecular Weight142.25 g/mol
Exact Mass142.15
IUPAC Name6,6-dimethyl-1,4-diazocane
SMILESCC1(C)CCNCCNC1
InChIInChI=1S/C8H18N2/c1-8(2)3-4-9-5-6-10-7-8/h9-10H,3-7H2,1-2H3
InChIKeyMIKWYYDCBPEPCX-UHFFFAOYSA-N
XLogP0.60
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.25
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-1,4-diazocane?
The IUPAC name of 6,6-dimethyl-1,4-diazocane (CID 139442519) is 6,6-dimethyl-1,4-diazocane.
What is the SMILES notation for 6,6-dimethyl-1,4-diazocane?
The canonical SMILES for 6,6-dimethyl-1,4-diazocane is CC1(C)CCNCCNC1.
What is the InChIKey of 6,6-dimethyl-1,4-diazocane?
The InChIKey is MIKWYYDCBPEPCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2/c1-8(2)3-4-9-5-6-10-7-8/h9-10H,3-7H2,1-2H3.
What are the key properties of 6,6-dimethyl-1,4-diazocane?
6,6-dimethyl-1,4-diazocane has a molecular weight of 142.25 g/mol, XLogP of 0.60, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-1,4-diazocane is sourced from PubChem (CID 139442519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).