1,3,3,5,5,7-hexamethylazocane

C13H27N — CID 70331342

IUPAC1,3,3,5,5,7-hexamethylazocane
SMILESCC1CN(C)CC(C)(C)CC(C)(C)C1
InChIInChI=1S/C13H27N/c1-11-7-12(2,3)9-13(4,5)10-14(6)8-11/h11H,7-10H2,1-6H3
InChIKeyVSJAAVBCZLYMKB-UHFFFAOYSA-N
MW197.37 g/mol
LogP3.40
Rot. Bonds

About 1,3,3,5,5,7-hexamethylazocane

1,3,3,5,5,7-hexamethylazocane (PubChem CID 70331342) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is 1,3,3,5,5,7-hexamethylazocane.

Molecular Properties

Compound Name1,3,3,5,5,7-hexamethylazocane
PubChem CID70331342
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC Name1,3,3,5,5,7-hexamethylazocane
SMILESCC1CN(C)CC(C)(C)CC(C)(C)C1
InChIInChI=1S/C13H27N/c1-11-7-12(2,3)9-13(4,5)10-14(6)8-11/h11H,7-10H2,1-6H3
InChIKeyVSJAAVBCZLYMKB-UHFFFAOYSA-N
XLogP3.40
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.37
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,3,3,5,5,7-hexamethylazocane?
The IUPAC name of 1,3,3,5,5,7-hexamethylazocane (CID 70331342) is 1,3,3,5,5,7-hexamethylazocane.
What is the SMILES notation for 1,3,3,5,5,7-hexamethylazocane?
The canonical SMILES for 1,3,3,5,5,7-hexamethylazocane is CC1CN(C)CC(C)(C)CC(C)(C)C1.
What is the InChIKey of 1,3,3,5,5,7-hexamethylazocane?
The InChIKey is VSJAAVBCZLYMKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N/c1-11-7-12(2,3)9-13(4,5)10-14(6)8-11/h11H,7-10H2,1-6H3.
What are the key properties of 1,3,3,5,5,7-hexamethylazocane?
1,3,3,5,5,7-hexamethylazocane has a molecular weight of 197.37 g/mol, XLogP of 3.40, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,3,5,5,7-hexamethylazocane is sourced from PubChem (CID 70331342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).