1,4,8,11-tetrazacyclotetradecane;1,4,7-triazonane

C16H39N7 — CID 159801771

IUPAC1,4,8,11-tetrazacyclotetradecane;1,4,7-triazonane
SMILESC1CNCCNCCCNCCNC1.C1CNCCNCCN1
InChIInChI=1S/C10H24N4.C6H15N3/c1-3-11-7-9-13-5-2-6-14-10-8-12-4-1;1-2-8-5-6-9-4-3-7-1/h11-14H,1-10H2;7-9H,1-6H2
InChIKeyNJWQEROYQLJAMJ-UHFFFAOYSA-N
MW329.54 g/mol
LogP-2.09
Rot. Bonds

About 1,4,8,11-tetrazacyclotetradecane;1,4,7-triazonane

1,4,8,11-tetrazacyclotetradecane;1,4,7-triazonane (PubChem CID 159801771) has the molecular formula C16H39N7 and a molecular weight of 329.54 g/mol. Its IUPAC name is 1,4,8,11-tetrazacyclotetradecane;1,4,7-triazonane.

Molecular Properties

Compound Name1,4,8,11-tetrazacyclotetradecane;1,4,7-triazonane
PubChem CID159801771
Molecular FormulaC16H39N7
Molecular Weight329.54 g/mol
Exact Mass329.33
IUPAC Name1,4,8,11-tetrazacyclotetradecane;1,4,7-triazonane
SMILESC1CNCCNCCCNCCNC1.C1CNCCNCCN1
InChIInChI=1S/C10H24N4.C6H15N3/c1-3-11-7-9-13-5-2-6-14-10-8-12-4-1;1-2-8-5-6-9-4-3-7-1/h11-14H,1-10H2;7-9H,1-6H2
InChIKeyNJWQEROYQLJAMJ-UHFFFAOYSA-N
XLogP-2.09
TPSA84.21 Ų
H-Bond Donors7
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.54
LogP ≤ 5-2.09
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1,4,8,11-tetrazacyclotetradecane;1,4,7-triazonane?
The IUPAC name of 1,4,8,11-tetrazacyclotetradecane;1,4,7-triazonane (CID 159801771) is 1,4,8,11-tetrazacyclotetradecane;1,4,7-triazonane.
What is the SMILES notation for 1,4,8,11-tetrazacyclotetradecane;1,4,7-triazonane?
The canonical SMILES for 1,4,8,11-tetrazacyclotetradecane;1,4,7-triazonane is C1CNCCNCCCNCCNC1.C1CNCCNCCN1.
What is the InChIKey of 1,4,8,11-tetrazacyclotetradecane;1,4,7-triazonane?
The InChIKey is NJWQEROYQLJAMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N4.C6H15N3/c1-3-11-7-9-13-5-2-6-14-10-8-12-4-1;1-2-8-5-6-9-4-3-7-1/h11-14H,1-10H2;7-9H,1-6H2.
What are the key properties of 1,4,8,11-tetrazacyclotetradecane;1,4,7-triazonane?
1,4,8,11-tetrazacyclotetradecane;1,4,7-triazonane has a molecular weight of 329.54 g/mol, XLogP of -2.09, 0 rotatable bonds, 7 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,8,11-tetrazacyclotetradecane;1,4,7-triazonane is sourced from PubChem (CID 159801771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).