azane;1,3,6,10-tetrazacyclododecane

C8H23N5 — CID 174902715

IUPACazane;1,3,6,10-tetrazacyclododecane
SMILESC1CNCCNCNCCNC1.N
InChIInChI=1S/C8H20N4.H3N/c1-2-9-4-6-11-8-12-7-5-10-3-1;/h9-12H,1-8H2;1H3
InChIKeyHOHFOGLXZAUWCK-UHFFFAOYSA-N
MW189.31 g/mol
LogP-1.13
Rot. Bonds

About azane;1,3,6,10-tetrazacyclododecane

azane;1,3,6,10-tetrazacyclododecane (PubChem CID 174902715) has the molecular formula C8H23N5 and a molecular weight of 189.31 g/mol. Its IUPAC name is azane;1,3,6,10-tetrazacyclododecane.

Molecular Properties

Compound Nameazane;1,3,6,10-tetrazacyclododecane
PubChem CID174902715
Molecular FormulaC8H23N5
Molecular Weight189.31 g/mol
Exact Mass189.20
IUPAC Nameazane;1,3,6,10-tetrazacyclododecane
SMILESC1CNCCNCNCCNC1.N
InChIInChI=1S/C8H20N4.H3N/c1-2-9-4-6-11-8-12-7-5-10-3-1;/h9-12H,1-8H2;1H3
InChIKeyHOHFOGLXZAUWCK-UHFFFAOYSA-N
XLogP-1.13
TPSA83.12 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.31
LogP ≤ 5-1.13
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

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1,4,8,11-tetrazacyclotetradecane;1,4,7-triazonane
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copper 1,4,8,11-tetrazacyclotetradecane
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1,5,9,13,17-pentazacycloicosane
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ruthenium(2+);1,4,8,11-tetrazacyclotetradecane;dichloride
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1,3-diazacyclotridecane
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Frequently Asked Questions

What is the IUPAC name of azane;1,3,6,10-tetrazacyclododecane?
The IUPAC name of azane;1,3,6,10-tetrazacyclododecane (CID 174902715) is azane;1,3,6,10-tetrazacyclododecane.
What is the SMILES notation for azane;1,3,6,10-tetrazacyclododecane?
The canonical SMILES for azane;1,3,6,10-tetrazacyclododecane is C1CNCCNCNCCNC1.N.
What is the InChIKey of azane;1,3,6,10-tetrazacyclododecane?
The InChIKey is HOHFOGLXZAUWCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N4.H3N/c1-2-9-4-6-11-8-12-7-5-10-3-1;/h9-12H,1-8H2;1H3.
What are the key properties of azane;1,3,6,10-tetrazacyclododecane?
azane;1,3,6,10-tetrazacyclododecane has a molecular weight of 189.31 g/mol, XLogP of -1.13, 0 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for azane;1,3,6,10-tetrazacyclododecane is sourced from PubChem (CID 174902715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).