1,5-dimethylazocane

C9H19N — CID 20585723

IUPAC1,5-dimethylazocane
SMILESCC1CCCN(C)CCC1
InChIInChI=1S/C9H19N/c1-9-5-3-7-10(2)8-4-6-9/h9H,3-8H2,1-2H3
InChIKeyJXCVGUBICSICSS-UHFFFAOYSA-N
MW141.26 g/mol
LogP2.13
Rot. Bonds

About 1,5-dimethylazocane

1,5-dimethylazocane (PubChem CID 20585723) has the molecular formula C9H19N and a molecular weight of 141.26 g/mol. Its IUPAC name is 1,5-dimethylazocane.

Molecular Properties

Compound Name1,5-dimethylazocane
PubChem CID20585723
Molecular FormulaC9H19N
Molecular Weight141.26 g/mol
Exact Mass141.15
IUPAC Name1,5-dimethylazocane
SMILESCC1CCCN(C)CCC1
InChIInChI=1S/C9H19N/c1-9-5-3-7-10(2)8-4-6-9/h9H,3-8H2,1-2H3
InChIKeyJXCVGUBICSICSS-UHFFFAOYSA-N
XLogP2.13
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.26
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,5-dimethylazocane?
The IUPAC name of 1,5-dimethylazocane (CID 20585723) is 1,5-dimethylazocane.
What is the SMILES notation for 1,5-dimethylazocane?
The canonical SMILES for 1,5-dimethylazocane is CC1CCCN(C)CCC1.
What is the InChIKey of 1,5-dimethylazocane?
The InChIKey is JXCVGUBICSICSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N/c1-9-5-3-7-10(2)8-4-6-9/h9H,3-8H2,1-2H3.
What are the key properties of 1,5-dimethylazocane?
1,5-dimethylazocane has a molecular weight of 141.26 g/mol, XLogP of 2.13, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethylazocane is sourced from PubChem (CID 20585723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).