pyridine;1,4,8,11-tetrazacyclotetradecane

C15H29N5 — CID 67576088

IUPACpyridine;1,4,8,11-tetrazacyclotetradecane
SMILESC1CNCCNCCCNCCNC1.c1ccncc1
InChIInChI=1S/C10H24N4.C5H5N/c1-3-11-7-9-13-5-2-6-14-10-8-12-4-1;1-2-4-6-5-3-1/h11-14H,1-10H2;1-5H
InChIKeyPWUQTKUSWWFQQZ-UHFFFAOYSA-N
MW279.43 g/mol
LogP0.22
Rot. Bonds

About pyridine;1,4,8,11-tetrazacyclotetradecane

pyridine;1,4,8,11-tetrazacyclotetradecane (PubChem CID 67576088) has the molecular formula C15H29N5 and a molecular weight of 279.43 g/mol. Its IUPAC name is pyridine;1,4,8,11-tetrazacyclotetradecane.

Molecular Properties

Compound Namepyridine;1,4,8,11-tetrazacyclotetradecane
PubChem CID67576088
Molecular FormulaC15H29N5
Molecular Weight279.43 g/mol
Exact Mass279.24
IUPAC Namepyridine;1,4,8,11-tetrazacyclotetradecane
SMILESC1CNCCNCCCNCCNC1.c1ccncc1
InChIInChI=1S/C10H24N4.C5H5N/c1-3-11-7-9-13-5-2-6-14-10-8-12-4-1;1-2-4-6-5-3-1/h11-14H,1-10H2;1-5H
InChIKeyPWUQTKUSWWFQQZ-UHFFFAOYSA-N
XLogP0.22
TPSA61.01 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 50.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of pyridine;1,4,8,11-tetrazacyclotetradecane?
The IUPAC name of pyridine;1,4,8,11-tetrazacyclotetradecane (CID 67576088) is pyridine;1,4,8,11-tetrazacyclotetradecane.
What is the SMILES notation for pyridine;1,4,8,11-tetrazacyclotetradecane?
The canonical SMILES for pyridine;1,4,8,11-tetrazacyclotetradecane is C1CNCCNCCCNCCNC1.c1ccncc1.
What is the InChIKey of pyridine;1,4,8,11-tetrazacyclotetradecane?
The InChIKey is PWUQTKUSWWFQQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N4.C5H5N/c1-3-11-7-9-13-5-2-6-14-10-8-12-4-1;1-2-4-6-5-3-1/h11-14H,1-10H2;1-5H.
What are the key properties of pyridine;1,4,8,11-tetrazacyclotetradecane?
pyridine;1,4,8,11-tetrazacyclotetradecane has a molecular weight of 279.43 g/mol, XLogP of 0.22, 0 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for pyridine;1,4,8,11-tetrazacyclotetradecane is sourced from PubChem (CID 67576088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).