(7Z)-6,6-dimethyl-3H-diazocine;ethane

C10H18N2 — CID 144544149

IUPAC(7Z)-6,6-dimethyl-3H-diazocine;ethane
SMILESCC.CC1(C)C=CC/N=N\C=C/1
InChIInChI=1S/C8H12N2.C2H6/c1-8(2)4-3-6-9-10-7-5-8;1-2/h3-5,7H,6H2,1-2H3;1-2H3/b4-3?,7-5-,10-9-;
InChIKeyUELGHTIIZKJHEN-FQNIZRJXSA-N
MW166.27 g/mol
LogP3.57
Rot. Bonds

About (7Z)-6,6-dimethyl-3H-diazocine;ethane

(7Z)-6,6-dimethyl-3H-diazocine;ethane (PubChem CID 144544149) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is (7Z)-6,6-dimethyl-3H-diazocine;ethane.

Molecular Properties

Compound Name(7Z)-6,6-dimethyl-3H-diazocine;ethane
PubChem CID144544149
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name(7Z)-6,6-dimethyl-3H-diazocine;ethane
SMILESCC.CC1(C)C=CC/N=N\C=C/1
InChIInChI=1S/C8H12N2.C2H6/c1-8(2)4-3-6-9-10-7-5-8;1-2/h3-5,7H,6H2,1-2H3;1-2H3/b4-3?,7-5-,10-9-;
InChIKeyUELGHTIIZKJHEN-FQNIZRJXSA-N
XLogP3.57
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 53.57
H-Bond Donors ≤ 50
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 (7Z)-6,6-dimethyl-3H-diazocine;ethane?
The IUPAC name of (7Z)-6,6-dimethyl-3H-diazocine;ethane (CID 144544149) is (7Z)-6,6-dimethyl-3H-diazocine;ethane.
What is the SMILES notation for (7Z)-6,6-dimethyl-3H-diazocine;ethane?
The canonical SMILES for (7Z)-6,6-dimethyl-3H-diazocine;ethane is CC.CC1(C)C=CC/N=N\C=C/1.
What is the InChIKey of (7Z)-6,6-dimethyl-3H-diazocine;ethane?
The InChIKey is UELGHTIIZKJHEN-FQNIZRJXSA-N. The full InChI is InChI=1S/C8H12N2.C2H6/c1-8(2)4-3-6-9-10-7-5-8;1-2/h3-5,7H,6H2,1-2H3;1-2H3/b4-3?,7-5-,10-9-;.
What are the key properties of (7Z)-6,6-dimethyl-3H-diazocine;ethane?
(7Z)-6,6-dimethyl-3H-diazocine;ethane has a molecular weight of 166.27 g/mol, XLogP of 3.57, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7Z)-6,6-dimethyl-3H-diazocine;ethane is sourced from PubChem (CID 144544149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).