1,6-diethyl-1,6-diazacyclodeca-3,8-diyne

C12H18N2 — CID 15695588

IUPAC1,6-diethyl-1,6-diazacyclodeca-3,8-diyne
SMILESCCN1CC#CCN(CC)CC#CC1
InChIInChI=1S/C12H18N2/c1-3-13-9-5-7-11-14(4-2)12-8-6-10-13/h3-4,9-12H2,1-2H3
InChIKeyCDPQQBIJWCKVQY-UHFFFAOYSA-N
MW190.29 g/mol
LogP0.65
Rot. Bonds2

About 1,6-diethyl-1,6-diazacyclodeca-3,8-diyne

1,6-diethyl-1,6-diazacyclodeca-3,8-diyne (PubChem CID 15695588) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is 1,6-diethyl-1,6-diazacyclodeca-3,8-diyne.

Molecular Properties

Compound Name1,6-diethyl-1,6-diazacyclodeca-3,8-diyne
PubChem CID15695588
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name1,6-diethyl-1,6-diazacyclodeca-3,8-diyne
SMILESCCN1CC#CCN(CC)CC#CC1
InChIInChI=1S/C12H18N2/c1-3-13-9-5-7-11-14(4-2)12-8-6-10-13/h3-4,9-12H2,1-2H3
InChIKeyCDPQQBIJWCKVQY-UHFFFAOYSA-N
XLogP0.65
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,6-diethyl-1,6-diazacyclodeca-3,8-diyne?
The IUPAC name of 1,6-diethyl-1,6-diazacyclodeca-3,8-diyne (CID 15695588) is 1,6-diethyl-1,6-diazacyclodeca-3,8-diyne.
What is the SMILES notation for 1,6-diethyl-1,6-diazacyclodeca-3,8-diyne?
The canonical SMILES for 1,6-diethyl-1,6-diazacyclodeca-3,8-diyne is CCN1CC#CCN(CC)CC#CC1.
What is the InChIKey of 1,6-diethyl-1,6-diazacyclodeca-3,8-diyne?
The InChIKey is CDPQQBIJWCKVQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2/c1-3-13-9-5-7-11-14(4-2)12-8-6-10-13/h3-4,9-12H2,1-2H3.
What are the key properties of 1,6-diethyl-1,6-diazacyclodeca-3,8-diyne?
1,6-diethyl-1,6-diazacyclodeca-3,8-diyne has a molecular weight of 190.29 g/mol, XLogP of 0.65, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-diethyl-1,6-diazacyclodeca-3,8-diyne is sourced from PubChem (CID 15695588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).