6-(propoxymethyl)-1-oxa-5-azacyclododecane

C14H29NO2 — CID 22084567

IUPAC6-(propoxymethyl)-1-oxa-5-azacyclododecane
SMILESCCCOCC1CCCCCCOCCCN1
InChIInChI=1S/C14H29NO2/c1-2-10-17-13-14-8-5-3-4-6-11-16-12-7-9-15-14/h14-15H,2-13H2,1H3
InChIKeyIVJRLUXVLQUCQL-UHFFFAOYSA-N
MW243.39 g/mol
LogP2.74
Rot. Bonds4

About 6-(propoxymethyl)-1-oxa-5-azacyclododecane

6-(propoxymethyl)-1-oxa-5-azacyclododecane (PubChem CID 22084567) has the molecular formula C14H29NO2 and a molecular weight of 243.39 g/mol. Its IUPAC name is 6-(propoxymethyl)-1-oxa-5-azacyclododecane.

Molecular Properties

Compound Name6-(propoxymethyl)-1-oxa-5-azacyclododecane
PubChem CID22084567
Molecular FormulaC14H29NO2
Molecular Weight243.39 g/mol
Exact Mass243.22
IUPAC Name6-(propoxymethyl)-1-oxa-5-azacyclododecane
SMILESCCCOCC1CCCCCCOCCCN1
InChIInChI=1S/C14H29NO2/c1-2-10-17-13-14-8-5-3-4-6-11-16-12-7-9-15-14/h14-15H,2-13H2,1H3
InChIKeyIVJRLUXVLQUCQL-UHFFFAOYSA-N
XLogP2.74
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-propoxyethoxymethyl)piperidine
CID 63684377
(2R)-2-(octoxymethyl)pyrrolidine
CID 102820024
2-(ethoxymethyl)azepane
CID 79569846
2-(oxan-4-ylmethoxymethyl)piperidine
CID 62383000
2-(4-methoxybutoxymethyl)pyrrolidine
CID 104648269
2-(oxan-2-ylmethoxymethyl)piperidine
CID 24705678
2-(cyclohexylmethoxymethyl)pyrrolidine
CID 62335288
4-(methoxymethyl)-1-oxa-3-azacyclododecane
CID 22084566
2-(3,3-dimethylbutoxymethyl)pyrrolidine
CID 62335099
(2R)-2-[2-(2-methylpropoxy)ethoxymethyl]pyrrolidine
CID 106447713
(2R)-2-[3-(2-methoxyethoxy)propoxymethyl]pyrrolidine
CID 103402661
2-(butoxymethyl)oxirane;oxonane
CID 20569142

Frequently Asked Questions

What is the IUPAC name of 6-(propoxymethyl)-1-oxa-5-azacyclododecane?
The IUPAC name of 6-(propoxymethyl)-1-oxa-5-azacyclododecane (CID 22084567) is 6-(propoxymethyl)-1-oxa-5-azacyclododecane.
What is the SMILES notation for 6-(propoxymethyl)-1-oxa-5-azacyclododecane?
The canonical SMILES for 6-(propoxymethyl)-1-oxa-5-azacyclododecane is CCCOCC1CCCCCCOCCCN1.
What is the InChIKey of 6-(propoxymethyl)-1-oxa-5-azacyclododecane?
The InChIKey is IVJRLUXVLQUCQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2/c1-2-10-17-13-14-8-5-3-4-6-11-16-12-7-9-15-14/h14-15H,2-13H2,1H3.
What are the key properties of 6-(propoxymethyl)-1-oxa-5-azacyclododecane?
6-(propoxymethyl)-1-oxa-5-azacyclododecane has a molecular weight of 243.39 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(propoxymethyl)-1-oxa-5-azacyclododecane is sourced from PubChem (CID 22084567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).