4,8,12-trimethyl-1-oxa-4,8,12-triazacyclotetradecane

C13H29N3O — CID 71341208

IUPAC4,8,12-trimethyl-1-oxa-4,8,12-triazacyclotetradecane
SMILESCN1CCCN(C)CCOCCN(C)CCC1
InChIInChI=1S/C13H29N3O/c1-14-6-4-8-15(2)10-12-17-13-11-16(3)9-5-7-14/h4-13H2,1-3H3
InChIKeyYJWBHXAZHVTKTO-UHFFFAOYSA-N
MW243.39 g/mol
LogP0.59
Rot. Bonds

About 4,8,12-trimethyl-1-oxa-4,8,12-triazacyclotetradecane

4,8,12-trimethyl-1-oxa-4,8,12-triazacyclotetradecane (PubChem CID 71341208) has the molecular formula C13H29N3O and a molecular weight of 243.39 g/mol. Its IUPAC name is 4,8,12-trimethyl-1-oxa-4,8,12-triazacyclotetradecane.

Molecular Properties

Compound Name4,8,12-trimethyl-1-oxa-4,8,12-triazacyclotetradecane
PubChem CID71341208
Molecular FormulaC13H29N3O
Molecular Weight243.39 g/mol
Exact Mass243.23
IUPAC Name4,8,12-trimethyl-1-oxa-4,8,12-triazacyclotetradecane
SMILESCN1CCCN(C)CCOCCN(C)CCC1
InChIInChI=1S/C13H29N3O/c1-14-6-4-8-15(2)10-12-17-13-11-16(3)9-5-7-14/h4-13H2,1-3H3
InChIKeyYJWBHXAZHVTKTO-UHFFFAOYSA-N
XLogP0.59
TPSA18.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 50.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 45731
Ammonium, N,N-dimethyl-N,N',N',N'-tetraethyl-N,N'-oxyethylenetrimethylenedi-dibromide
CID 45753
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CID 45755
Ammonium, N,N-diethyl-N,N',N',N'-tetramethyl-N,N'-oxyethylenetrimethylenedi-, diiodide
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Frequently Asked Questions

What is the IUPAC name of 4,8,12-trimethyl-1-oxa-4,8,12-triazacyclotetradecane?
The IUPAC name of 4,8,12-trimethyl-1-oxa-4,8,12-triazacyclotetradecane (CID 71341208) is 4,8,12-trimethyl-1-oxa-4,8,12-triazacyclotetradecane.
What is the SMILES notation for 4,8,12-trimethyl-1-oxa-4,8,12-triazacyclotetradecane?
The canonical SMILES for 4,8,12-trimethyl-1-oxa-4,8,12-triazacyclotetradecane is CN1CCCN(C)CCOCCN(C)CCC1.
What is the InChIKey of 4,8,12-trimethyl-1-oxa-4,8,12-triazacyclotetradecane?
The InChIKey is YJWBHXAZHVTKTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3O/c1-14-6-4-8-15(2)10-12-17-13-11-16(3)9-5-7-14/h4-13H2,1-3H3.
What are the key properties of 4,8,12-trimethyl-1-oxa-4,8,12-triazacyclotetradecane?
4,8,12-trimethyl-1-oxa-4,8,12-triazacyclotetradecane has a molecular weight of 243.39 g/mol, XLogP of 0.59, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,8,12-trimethyl-1-oxa-4,8,12-triazacyclotetradecane is sourced from PubChem (CID 71341208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).