1,8-diethyl-1,8-diazacyclotetradeca-3,5,10,12-tetrayne

C16H18N2 — CID 10586035

IUPAC1,8-diethyl-1,8-diazacyclotetradeca-3,5,10,12-tetrayne
SMILESCCN1CC#CC#CCN(CC)CC#CC#CC1
InChIInChI=1S/C16H18N2/c1-3-17-13-9-5-7-11-15-18(4-2)16-12-8-6-10-14-17/h3-4,13-16H2,1-2H3
InChIKeyKAHHZDMXDDZDAB-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.66
Rot. Bonds2

About 1,8-diethyl-1,8-diazacyclotetradeca-3,5,10,12-tetrayne

1,8-diethyl-1,8-diazacyclotetradeca-3,5,10,12-tetrayne (PubChem CID 10586035) has the molecular formula C16H18N2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 1,8-diethyl-1,8-diazacyclotetradeca-3,5,10,12-tetrayne.

Molecular Properties

Compound Name1,8-diethyl-1,8-diazacyclotetradeca-3,5,10,12-tetrayne
PubChem CID10586035
Molecular FormulaC16H18N2
Molecular Weight238.33 g/mol
Exact Mass238.15
IUPAC Name1,8-diethyl-1,8-diazacyclotetradeca-3,5,10,12-tetrayne
SMILESCCN1CC#CC#CCN(CC)CC#CC#CC1
InChIInChI=1S/C16H18N2/c1-3-17-13-9-5-7-11-15-18(4-2)16-12-8-6-10-14-17/h3-4,13-16H2,1-2H3
InChIKeyKAHHZDMXDDZDAB-UHFFFAOYSA-N
XLogP0.66
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.66
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 1,8-diethyl-1,8-diazacyclotetradeca-3,5,10,12-tetrayne?
The IUPAC name of 1,8-diethyl-1,8-diazacyclotetradeca-3,5,10,12-tetrayne (CID 10586035) is 1,8-diethyl-1,8-diazacyclotetradeca-3,5,10,12-tetrayne.
What is the SMILES notation for 1,8-diethyl-1,8-diazacyclotetradeca-3,5,10,12-tetrayne?
The canonical SMILES for 1,8-diethyl-1,8-diazacyclotetradeca-3,5,10,12-tetrayne is CCN1CC#CC#CCN(CC)CC#CC#CC1.
What is the InChIKey of 1,8-diethyl-1,8-diazacyclotetradeca-3,5,10,12-tetrayne?
The InChIKey is KAHHZDMXDDZDAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2/c1-3-17-13-9-5-7-11-15-18(4-2)16-12-8-6-10-14-17/h3-4,13-16H2,1-2H3.
What are the key properties of 1,8-diethyl-1,8-diazacyclotetradeca-3,5,10,12-tetrayne?
1,8-diethyl-1,8-diazacyclotetradeca-3,5,10,12-tetrayne has a molecular weight of 238.33 g/mol, XLogP of 0.66, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,8-diethyl-1,8-diazacyclotetradeca-3,5,10,12-tetrayne is sourced from PubChem (CID 10586035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).