1-oxa-4,7,10-triazacyclododecane

C8H19N3O — CID 771596

IUPAC1-oxa-4,7,10-triazacyclododecane
SMILESC1CNCCOCCNCCN1
InChIInChI=1S/C8H19N3O/c1-3-10-5-7-12-8-6-11-4-2-9-1/h9-11H,1-8H2
InChIKeyNLINGGCQUVARNS-UHFFFAOYSA-N
MW173.26 g/mol
LogP-1.21
Rot. Bonds

About 1-oxa-4,7,10-triazacyclododecane

1-oxa-4,7,10-triazacyclododecane (PubChem CID 771596) has the molecular formula C8H19N3O and a molecular weight of 173.26 g/mol. Its IUPAC name is 1-oxa-4,7,10-triazacyclododecane.

Molecular Properties

Compound Name1-oxa-4,7,10-triazacyclododecane
PubChem CID771596
Molecular FormulaC8H19N3O
Molecular Weight173.26 g/mol
Exact Mass173.15
IUPAC Name1-oxa-4,7,10-triazacyclododecane
SMILESC1CNCCOCCNCCN1
InChIInChI=1S/C8H19N3O/c1-3-10-5-7-12-8-6-11-4-2-9-1/h9-11H,1-8H2
InChIKeyNLINGGCQUVARNS-UHFFFAOYSA-N
XLogP-1.21
TPSA45.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 5-1.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1,4,10-Trioxa-7,13-diazacyclopentadecane
CID 123435
1,7-Dioxa-4,10-diazacyclododecane
CID 67522
Bis(2-ethoxyethyl)amine
CID 547396
Methyl(2-(morpholin-4-yl)ethyl)amine
CID 14979282
1-(2-Ethoxyethyl)piperazine
CID 2734643
N-(2-(4-Morpholinyl)ethyl)ethylenediamine
CID 79726
1-(2-Propoxyethyl)piperazine
CID 2760475
1,2-Ethanediamine, N,N-bis(2-methoxyethyl)-
CID 7138275
N-Ethyl-2-(morpholin-4-yl)ethan-1-amine
CID 14518967
[2-(2-Aminoethoxy)ethyl]diethylamine
CID 15105206
Diethyl({2-[(2-methoxyethyl)amino]ethyl})amine
CID 23116495
(2-Aminoethyl)(2-methoxyethyl)methylamine
CID 23144321

Frequently Asked Questions

What is the IUPAC name of 1-oxa-4,7,10-triazacyclododecane?
The IUPAC name of 1-oxa-4,7,10-triazacyclododecane (CID 771596) is 1-oxa-4,7,10-triazacyclododecane.
What is the SMILES notation for 1-oxa-4,7,10-triazacyclododecane?
The canonical SMILES for 1-oxa-4,7,10-triazacyclododecane is C1CNCCOCCNCCN1.
What is the InChIKey of 1-oxa-4,7,10-triazacyclododecane?
The InChIKey is NLINGGCQUVARNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3O/c1-3-10-5-7-12-8-6-11-4-2-9-1/h9-11H,1-8H2.
What are the key properties of 1-oxa-4,7,10-triazacyclododecane?
1-oxa-4,7,10-triazacyclododecane has a molecular weight of 173.26 g/mol, XLogP of -1.21, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxa-4,7,10-triazacyclododecane is sourced from PubChem (CID 771596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).