1,4,8,11-tetrazacyclotetradeca-4,11-diene

C10H20N4 — CID 59682507

IUPAC1,4,8,11-tetrazacyclotetradeca-4,11-diene
SMILESC1=N/CCNCC/C=N/CCNCC/1
InChIInChI=1S/C10H20N4/c1-3-11-7-9-13-5-2-6-14-10-8-12-4-1/h3,6,12-13H,1-2,4-5,7-10H2/b11-3+,14-6+
InChIKeyNNNIUGMTSHUJHB-PYEOWPDPSA-N
MW196.30 g/mol
LogP0.10
Rot. Bonds

About 1,4,8,11-tetrazacyclotetradeca-4,11-diene

1,4,8,11-tetrazacyclotetradeca-4,11-diene (PubChem CID 59682507) has the molecular formula C10H20N4 and a molecular weight of 196.30 g/mol. Its IUPAC name is 1,4,8,11-tetrazacyclotetradeca-4,11-diene.

Molecular Properties

Compound Name1,4,8,11-tetrazacyclotetradeca-4,11-diene
PubChem CID59682507
Molecular FormulaC10H20N4
Molecular Weight196.30 g/mol
Exact Mass196.17
IUPAC Name1,4,8,11-tetrazacyclotetradeca-4,11-diene
SMILESC1=N/CCNCC/C=N/CCNCC/1
InChIInChI=1S/C10H20N4/c1-3-11-7-9-13-5-2-6-14-10-8-12-4-1/h3,6,12-13H,1-2,4-5,7-10H2/b11-3+,14-6+
InChIKeyNNNIUGMTSHUJHB-PYEOWPDPSA-N
XLogP0.10
TPSA48.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.30
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,4,8,11-tetrazacyclotetradeca-4,11-diene?
The IUPAC name of 1,4,8,11-tetrazacyclotetradeca-4,11-diene (CID 59682507) is 1,4,8,11-tetrazacyclotetradeca-4,11-diene.
What is the SMILES notation for 1,4,8,11-tetrazacyclotetradeca-4,11-diene?
The canonical SMILES for 1,4,8,11-tetrazacyclotetradeca-4,11-diene is C1=N/CCNCC/C=N/CCNCC/1.
What is the InChIKey of 1,4,8,11-tetrazacyclotetradeca-4,11-diene?
The InChIKey is NNNIUGMTSHUJHB-PYEOWPDPSA-N. The full InChI is InChI=1S/C10H20N4/c1-3-11-7-9-13-5-2-6-14-10-8-12-4-1/h3,6,12-13H,1-2,4-5,7-10H2/b11-3+,14-6+.
What are the key properties of 1,4,8,11-tetrazacyclotetradeca-4,11-diene?
1,4,8,11-tetrazacyclotetradeca-4,11-diene has a molecular weight of 196.30 g/mol, XLogP of 0.10, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,8,11-tetrazacyclotetradeca-4,11-diene is sourced from PubChem (CID 59682507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).