5-methylideneazocane

C8H15N — CID 123603396

IUPAC5-methylideneazocane
SMILESC=C1CCCNCCC1
InChIInChI=1S/C8H15N/c1-8-4-2-6-9-7-3-5-8/h9H,1-7H2
InChIKeySJJANSDCRFLARI-UHFFFAOYSA-N
MW125.22 g/mol
LogP1.71
Rot. Bonds

About 5-methylideneazocane

5-methylideneazocane (PubChem CID 123603396) has the molecular formula C8H15N and a molecular weight of 125.22 g/mol. Its IUPAC name is 5-methylideneazocane.

Molecular Properties

Compound Name5-methylideneazocane
PubChem CID123603396
Molecular FormulaC8H15N
Molecular Weight125.22 g/mol
Exact Mass125.12
IUPAC Name5-methylideneazocane
SMILESC=C1CCCNCCC1
InChIInChI=1S/C8H15N/c1-8-4-2-6-9-7-3-5-8/h9H,1-7H2
InChIKeySJJANSDCRFLARI-UHFFFAOYSA-N
XLogP1.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.22
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methylideneazocane?
The IUPAC name of 5-methylideneazocane (CID 123603396) is 5-methylideneazocane.
What is the SMILES notation for 5-methylideneazocane?
The canonical SMILES for 5-methylideneazocane is C=C1CCCNCCC1.
What is the InChIKey of 5-methylideneazocane?
The InChIKey is SJJANSDCRFLARI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N/c1-8-4-2-6-9-7-3-5-8/h9H,1-7H2.
What are the key properties of 5-methylideneazocane?
5-methylideneazocane has a molecular weight of 125.22 g/mol, XLogP of 1.71, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylideneazocane is sourced from PubChem (CID 123603396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).