3-methyl-7-methylidene-1,5-diazocane

C8H16N2 — CID 129257506

IUPAC3-methyl-7-methylidene-1,5-diazocane
SMILESC=C1CNCC(C)CNC1
InChIInChI=1S/C8H16N2/c1-7-3-9-5-8(2)6-10-4-7/h8-10H,1,3-6H2,2H3
InChIKeyYJJCFYJUIAMQND-UHFFFAOYSA-N
MW140.23 g/mol
LogP0.37
Rot. Bonds

About 3-methyl-7-methylidene-1,5-diazocane

3-methyl-7-methylidene-1,5-diazocane (PubChem CID 129257506) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is 3-methyl-7-methylidene-1,5-diazocane.

Molecular Properties

Compound Name3-methyl-7-methylidene-1,5-diazocane
PubChem CID129257506
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name3-methyl-7-methylidene-1,5-diazocane
SMILESC=C1CNCC(C)CNC1
InChIInChI=1S/C8H16N2/c1-7-3-9-5-8(2)6-10-4-7/h8-10H,1,3-6H2,2H3
InChIKeyYJJCFYJUIAMQND-UHFFFAOYSA-N
XLogP0.37
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 3-methyl-7-methylidene-1,5-diazocane?
The IUPAC name of 3-methyl-7-methylidene-1,5-diazocane (CID 129257506) is 3-methyl-7-methylidene-1,5-diazocane.
What is the SMILES notation for 3-methyl-7-methylidene-1,5-diazocane?
The canonical SMILES for 3-methyl-7-methylidene-1,5-diazocane is C=C1CNCC(C)CNC1.
What is the InChIKey of 3-methyl-7-methylidene-1,5-diazocane?
The InChIKey is YJJCFYJUIAMQND-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2/c1-7-3-9-5-8(2)6-10-4-7/h8-10H,1,3-6H2,2H3.
What are the key properties of 3-methyl-7-methylidene-1,5-diazocane?
3-methyl-7-methylidene-1,5-diazocane has a molecular weight of 140.23 g/mol, XLogP of 0.37, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-7-methylidene-1,5-diazocane is sourced from PubChem (CID 129257506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).