2-(2-methoxyethyl)-1-methyl-1,4-diazepane

C9H20N2O — CID 23090557

IUPAC2-(2-methoxyethyl)-1-methyl-1,4-diazepane
SMILESCOCCC1CNCCCN1C
InChIInChI=1S/C9H20N2O/c1-11-6-3-5-10-8-9(11)4-7-12-2/h9-10H,3-8H2,1-2H3
InChIKeyBPULGBFWKZQVRE-UHFFFAOYSA-N
MW172.27 g/mol
LogP0.32
Rot. Bonds3

About 2-(2-methoxyethyl)-1-methyl-1,4-diazepane

2-(2-methoxyethyl)-1-methyl-1,4-diazepane (PubChem CID 23090557) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is 2-(2-methoxyethyl)-1-methyl-1,4-diazepane.

Molecular Properties

Compound Name2-(2-methoxyethyl)-1-methyl-1,4-diazepane
PubChem CID23090557
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Name2-(2-methoxyethyl)-1-methyl-1,4-diazepane
SMILESCOCCC1CNCCCN1C
InChIInChI=1S/C9H20N2O/c1-11-6-3-5-10-8-9(11)4-7-12-2/h9-10H,3-8H2,1-2H3
InChIKeyBPULGBFWKZQVRE-UHFFFAOYSA-N
XLogP0.32
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethyl)-1-methyl-1,4-diazepane?
The IUPAC name of 2-(2-methoxyethyl)-1-methyl-1,4-diazepane (CID 23090557) is 2-(2-methoxyethyl)-1-methyl-1,4-diazepane.
What is the SMILES notation for 2-(2-methoxyethyl)-1-methyl-1,4-diazepane?
The canonical SMILES for 2-(2-methoxyethyl)-1-methyl-1,4-diazepane is COCCC1CNCCCN1C.
What is the InChIKey of 2-(2-methoxyethyl)-1-methyl-1,4-diazepane?
The InChIKey is BPULGBFWKZQVRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O/c1-11-6-3-5-10-8-9(11)4-7-12-2/h9-10H,3-8H2,1-2H3.
What are the key properties of 2-(2-methoxyethyl)-1-methyl-1,4-diazepane?
2-(2-methoxyethyl)-1-methyl-1,4-diazepane has a molecular weight of 172.27 g/mol, XLogP of 0.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethyl)-1-methyl-1,4-diazepane is sourced from PubChem (CID 23090557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).