5-ethyl-1-[(3-methoxyoxolan-3-yl)methyl]-1,4-diazepane

C13H26N2O2 — CID 113450811

IUPAC5-ethyl-1-[(3-methoxyoxolan-3-yl)methyl]-1,4-diazepane
SMILESCCC1CCN(CC2(OC)CCOC2)CCN1
InChIInChI=1S/C13H26N2O2/c1-3-12-4-7-15(8-6-14-12)10-13(16-2)5-9-17-11-13/h12,14H,3-11H2,1-2H3
InChIKeyZSDUOZWGKDCLNP-UHFFFAOYSA-N
MW242.36 g/mol
LogP0.87
Rot. Bonds4

About 5-ethyl-1-[(3-methoxyoxolan-3-yl)methyl]-1,4-diazepane

5-ethyl-1-[(3-methoxyoxolan-3-yl)methyl]-1,4-diazepane (PubChem CID 113450811) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 5-ethyl-1-[(3-methoxyoxolan-3-yl)methyl]-1,4-diazepane.

Molecular Properties

Compound Name5-ethyl-1-[(3-methoxyoxolan-3-yl)methyl]-1,4-diazepane
PubChem CID113450811
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name5-ethyl-1-[(3-methoxyoxolan-3-yl)methyl]-1,4-diazepane
SMILESCCC1CCN(CC2(OC)CCOC2)CCN1
InChIInChI=1S/C13H26N2O2/c1-3-12-4-7-15(8-6-14-12)10-13(16-2)5-9-17-11-13/h12,14H,3-11H2,1-2H3
InChIKeyZSDUOZWGKDCLNP-UHFFFAOYSA-N
XLogP0.87
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethyl-1-[(3-methoxyoxolan-3-yl)methyl]piperazine
CID 104766369
N-ethyl-1-[(3-methoxyoxolan-3-yl)methyl]piperidin-4-amine
CID 104761942
1-[(3-methoxyoxolan-3-yl)methyl]-3-methylpiperidin-4-amine
CID 104761944
3-tert-butyl-1-[(3-methoxyoxolan-3-yl)methyl]-1,4-diazepane
CID 104766407
3-cyclopropyl-6-ethyl-1-[(3-methoxyoxolan-3-yl)methyl]piperazine-2,5-dione
CID 104766542
1-[(3-methoxyoxolan-3-yl)methyl]-N,3-dimethylpiperidin-4-amine
CID 113450335
N-[[1-[(3-methoxyoxolan-3-yl)methyl]pyrrolidin-3-yl]methyl]propan-2-amine
CID 104762040
4-ethyl-N-[(3-methoxyoxolan-3-yl)methyl]-1,3-thiazinan-2-imine
CID 136933426
1-[(3-methoxyoxolan-3-yl)methyl]pyrrolidin-3-one
CID 104761898
5-ethyl-1-[1-(oxan-4-yl)ethyl]-1,4-diazepane
CID 114115320
2-ethyl-3-[(3-methoxyoxolan-3-yl)methyl]-5-methylimidazolidin-4-one
CID 113451101
N-[(3-methoxyoxolan-3-yl)methyl]-2-pyrrolidin-2-ylacetamide
CID 113450280

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-[(3-methoxyoxolan-3-yl)methyl]-1,4-diazepane?
The IUPAC name of 5-ethyl-1-[(3-methoxyoxolan-3-yl)methyl]-1,4-diazepane (CID 113450811) is 5-ethyl-1-[(3-methoxyoxolan-3-yl)methyl]-1,4-diazepane.
What is the SMILES notation for 5-ethyl-1-[(3-methoxyoxolan-3-yl)methyl]-1,4-diazepane?
The canonical SMILES for 5-ethyl-1-[(3-methoxyoxolan-3-yl)methyl]-1,4-diazepane is CCC1CCN(CC2(OC)CCOC2)CCN1.
What is the InChIKey of 5-ethyl-1-[(3-methoxyoxolan-3-yl)methyl]-1,4-diazepane?
The InChIKey is ZSDUOZWGKDCLNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-3-12-4-7-15(8-6-14-12)10-13(16-2)5-9-17-11-13/h12,14H,3-11H2,1-2H3.
What are the key properties of 5-ethyl-1-[(3-methoxyoxolan-3-yl)methyl]-1,4-diazepane?
5-ethyl-1-[(3-methoxyoxolan-3-yl)methyl]-1,4-diazepane has a molecular weight of 242.36 g/mol, XLogP of 0.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-[(3-methoxyoxolan-3-yl)methyl]-1,4-diazepane is sourced from PubChem (CID 113450811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).