1-(2-methoxyethyl)-3,3,7-trimethyl-1,4-diazepane

C11H24N2O — CID 64869408

IUPAC1-(2-methoxyethyl)-3,3,7-trimethyl-1,4-diazepane
SMILESCOCCN1CC(C)(C)NCCC1C
InChIInChI=1S/C11H24N2O/c1-10-5-6-12-11(2,3)9-13(10)7-8-14-4/h10,12H,5-9H2,1-4H3
InChIKeyWGWRQMVIBPZKIS-UHFFFAOYSA-N
MW200.33 g/mol
LogP1.10
Rot. Bonds3

About 1-(2-methoxyethyl)-3,3,7-trimethyl-1,4-diazepane

1-(2-methoxyethyl)-3,3,7-trimethyl-1,4-diazepane (PubChem CID 64869408) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-3,3,7-trimethyl-1,4-diazepane.

Molecular Properties

Compound Name1-(2-methoxyethyl)-3,3,7-trimethyl-1,4-diazepane
PubChem CID64869408
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC Name1-(2-methoxyethyl)-3,3,7-trimethyl-1,4-diazepane
SMILESCOCCN1CC(C)(C)NCCC1C
InChIInChI=1S/C11H24N2O/c1-10-5-6-12-11(2,3)9-13(10)7-8-14-4/h10,12H,5-9H2,1-4H3
InChIKeyWGWRQMVIBPZKIS-UHFFFAOYSA-N
XLogP1.10
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-3,3,7-trimethyl-1,4-diazepane?
The IUPAC name of 1-(2-methoxyethyl)-3,3,7-trimethyl-1,4-diazepane (CID 64869408) is 1-(2-methoxyethyl)-3,3,7-trimethyl-1,4-diazepane.
What is the SMILES notation for 1-(2-methoxyethyl)-3,3,7-trimethyl-1,4-diazepane?
The canonical SMILES for 1-(2-methoxyethyl)-3,3,7-trimethyl-1,4-diazepane is COCCN1CC(C)(C)NCCC1C.
What is the InChIKey of 1-(2-methoxyethyl)-3,3,7-trimethyl-1,4-diazepane?
The InChIKey is WGWRQMVIBPZKIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O/c1-10-5-6-12-11(2,3)9-13(10)7-8-14-4/h10,12H,5-9H2,1-4H3.
What are the key properties of 1-(2-methoxyethyl)-3,3,7-trimethyl-1,4-diazepane?
1-(2-methoxyethyl)-3,3,7-trimethyl-1,4-diazepane has a molecular weight of 200.33 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-3,3,7-trimethyl-1,4-diazepane is sourced from PubChem (CID 64869408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).