5,8,11-trimethyl-1-oxa-5,8,11-triazacyclotetradecane

C13H29N3O — CID 20610194

IUPAC5,8,11-trimethyl-1-oxa-5,8,11-triazacyclotetradecane
SMILESCN1CCCOCCCN(C)CCN(C)CC1
InChIInChI=1S/C13H29N3O/c1-14-6-4-12-17-13-5-7-15(2)9-11-16(3)10-8-14/h4-13H2,1-3H3
InChIKeyJBCROGZIDGRINK-UHFFFAOYSA-N
MW243.39 g/mol
LogP0.59
Rot. Bonds

About 5,8,11-trimethyl-1-oxa-5,8,11-triazacyclotetradecane

5,8,11-trimethyl-1-oxa-5,8,11-triazacyclotetradecane (PubChem CID 20610194) has the molecular formula C13H29N3O and a molecular weight of 243.39 g/mol. Its IUPAC name is 5,8,11-trimethyl-1-oxa-5,8,11-triazacyclotetradecane.

Molecular Properties

Compound Name5,8,11-trimethyl-1-oxa-5,8,11-triazacyclotetradecane
PubChem CID20610194
Molecular FormulaC13H29N3O
Molecular Weight243.39 g/mol
Exact Mass243.23
IUPAC Name5,8,11-trimethyl-1-oxa-5,8,11-triazacyclotetradecane
SMILESCN1CCCOCCCN(C)CCN(C)CC1
InChIInChI=1S/C13H29N3O/c1-14-6-4-12-17-13-5-7-15(2)9-11-16(3)10-8-14/h4-13H2,1-3H3
InChIKeyJBCROGZIDGRINK-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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Frequently Asked Questions

What is the IUPAC name of 5,8,11-trimethyl-1-oxa-5,8,11-triazacyclotetradecane?
The IUPAC name of 5,8,11-trimethyl-1-oxa-5,8,11-triazacyclotetradecane (CID 20610194) is 5,8,11-trimethyl-1-oxa-5,8,11-triazacyclotetradecane.
What is the SMILES notation for 5,8,11-trimethyl-1-oxa-5,8,11-triazacyclotetradecane?
The canonical SMILES for 5,8,11-trimethyl-1-oxa-5,8,11-triazacyclotetradecane is CN1CCCOCCCN(C)CCN(C)CC1.
What is the InChIKey of 5,8,11-trimethyl-1-oxa-5,8,11-triazacyclotetradecane?
The InChIKey is JBCROGZIDGRINK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3O/c1-14-6-4-12-17-13-5-7-15(2)9-11-16(3)10-8-14/h4-13H2,1-3H3.
What are the key properties of 5,8,11-trimethyl-1-oxa-5,8,11-triazacyclotetradecane?
5,8,11-trimethyl-1-oxa-5,8,11-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 5,8,11-trimethyl-1-oxa-5,8,11-triazacyclotetradecane is sourced from PubChem (CID 20610194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).