1-N,5-N-dimethoxycyclooctane-1,5-diimine

C10H18N2O2 — CID 10750478

IUPAC1-N,5-N-dimethoxycyclooctane-1,5-diimine
SMILESCON=C1CCCC(=NOC)CCC1
InChIInChI=1S/C10H18N2O2/c1-13-11-9-5-3-7-10(12-14-2)8-4-6-9/h3-8H2,1-2H3/b11-9-,12-10+
InChIKeyHOWHXNDBFZFCEL-DSOJMZEYSA-N
MW198.27 g/mol
LogP2.35
Rot. Bonds2

About 1-N,5-N-dimethoxycyclooctane-1,5-diimine

1-N,5-N-dimethoxycyclooctane-1,5-diimine (PubChem CID 10750478) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 1-N,5-N-dimethoxycyclooctane-1,5-diimine.

Molecular Properties

Compound Name1-N,5-N-dimethoxycyclooctane-1,5-diimine
PubChem CID10750478
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name1-N,5-N-dimethoxycyclooctane-1,5-diimine
SMILESCON=C1CCCC(=NOC)CCC1
InChIInChI=1S/C10H18N2O2/c1-13-11-9-5-3-7-10(12-14-2)8-4-6-9/h3-8H2,1-2H3/b11-9-,12-10+
InChIKeyHOWHXNDBFZFCEL-DSOJMZEYSA-N
XLogP2.35
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-N,5-N-dimethoxycyclooctane-1,5-diimine?
The IUPAC name of 1-N,5-N-dimethoxycyclooctane-1,5-diimine (CID 10750478) is 1-N,5-N-dimethoxycyclooctane-1,5-diimine.
What is the SMILES notation for 1-N,5-N-dimethoxycyclooctane-1,5-diimine?
The canonical SMILES for 1-N,5-N-dimethoxycyclooctane-1,5-diimine is CON=C1CCCC(=NOC)CCC1.
What is the InChIKey of 1-N,5-N-dimethoxycyclooctane-1,5-diimine?
The InChIKey is HOWHXNDBFZFCEL-DSOJMZEYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-13-11-9-5-3-7-10(12-14-2)8-4-6-9/h3-8H2,1-2H3/b11-9-,12-10+.
What are the key properties of 1-N,5-N-dimethoxycyclooctane-1,5-diimine?
1-N,5-N-dimethoxycyclooctane-1,5-diimine has a molecular weight of 198.27 g/mol, XLogP of 2.35, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,5-N-dimethoxycyclooctane-1,5-diimine is sourced from PubChem (CID 10750478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).