5,8-dimethyl-1,2,3,4,6,7-hexazocane

C4H14N6 — CID 148646488

IUPAC5,8-dimethyl-1,2,3,4,6,7-hexazocane
SMILESCC1NNNNC(C)NN1
InChIInChI=1S/C4H14N6/c1-3-5-6-4(2)8-10-9-7-3/h3-10H,1-2H3
InChIKeyNLBAOABCVXFEEK-UHFFFAOYSA-N
MW146.20 g/mol
LogP-2.11
Rot. Bonds

About 5,8-dimethyl-1,2,3,4,6,7-hexazocane

5,8-dimethyl-1,2,3,4,6,7-hexazocane (PubChem CID 148646488) has the molecular formula C4H14N6 and a molecular weight of 146.20 g/mol. Its IUPAC name is 5,8-dimethyl-1,2,3,4,6,7-hexazocane.

Molecular Properties

Compound Name5,8-dimethyl-1,2,3,4,6,7-hexazocane
PubChem CID148646488
Molecular FormulaC4H14N6
Molecular Weight146.20 g/mol
Exact Mass146.13
IUPAC Name5,8-dimethyl-1,2,3,4,6,7-hexazocane
SMILESCC1NNNNC(C)NN1
InChIInChI=1S/C4H14N6/c1-3-5-6-4(2)8-10-9-7-3/h3-10H,1-2H3
InChIKeyNLBAOABCVXFEEK-UHFFFAOYSA-N
XLogP-2.11
TPSA72.18 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500146.20
LogP ≤ 5-2.11
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5,8-dimethyl-1,2,3,4,6,7-hexazocane?
The IUPAC name of 5,8-dimethyl-1,2,3,4,6,7-hexazocane (CID 148646488) is 5,8-dimethyl-1,2,3,4,6,7-hexazocane.
What is the SMILES notation for 5,8-dimethyl-1,2,3,4,6,7-hexazocane?
The canonical SMILES for 5,8-dimethyl-1,2,3,4,6,7-hexazocane is CC1NNNNC(C)NN1.
What is the InChIKey of 5,8-dimethyl-1,2,3,4,6,7-hexazocane?
The InChIKey is NLBAOABCVXFEEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H14N6/c1-3-5-6-4(2)8-10-9-7-3/h3-10H,1-2H3.
What are the key properties of 5,8-dimethyl-1,2,3,4,6,7-hexazocane?
5,8-dimethyl-1,2,3,4,6,7-hexazocane has a molecular weight of 146.20 g/mol, XLogP of -2.11, 0 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-dimethyl-1,2,3,4,6,7-hexazocane is sourced from PubChem (CID 148646488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).