2-(methoxymethyl)-1,4-diazepane

C7H16N2O — CID 23090287

IUPAC2-(methoxymethyl)-1,4-diazepane
SMILESCOCC1CNCCCN1
InChIInChI=1S/C7H16N2O/c1-10-6-7-5-8-3-2-4-9-7/h7-9H,2-6H2,1H3
InChIKeyWIPRWFHDEUCEES-UHFFFAOYSA-N
MW144.22 g/mol
LogP-0.42
Rot. Bonds2

About 2-(methoxymethyl)-1,4-diazepane

2-(methoxymethyl)-1,4-diazepane (PubChem CID 23090287) has the molecular formula C7H16N2O and a molecular weight of 144.22 g/mol. Its IUPAC name is 2-(methoxymethyl)-1,4-diazepane.

Molecular Properties

Compound Name2-(methoxymethyl)-1,4-diazepane
PubChem CID23090287
Molecular FormulaC7H16N2O
Molecular Weight144.22 g/mol
Exact Mass144.13
IUPAC Name2-(methoxymethyl)-1,4-diazepane
SMILESCOCC1CNCCCN1
InChIInChI=1S/C7H16N2O/c1-10-6-7-5-8-3-2-4-9-7/h7-9H,2-6H2,1H3
InChIKeyWIPRWFHDEUCEES-UHFFFAOYSA-N
XLogP-0.42
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.22
LogP ≤ 5-0.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-1,4-diazepane?
The IUPAC name of 2-(methoxymethyl)-1,4-diazepane (CID 23090287) is 2-(methoxymethyl)-1,4-diazepane.
What is the SMILES notation for 2-(methoxymethyl)-1,4-diazepane?
The canonical SMILES for 2-(methoxymethyl)-1,4-diazepane is COCC1CNCCCN1.
What is the InChIKey of 2-(methoxymethyl)-1,4-diazepane?
The InChIKey is WIPRWFHDEUCEES-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O/c1-10-6-7-5-8-3-2-4-9-7/h7-9H,2-6H2,1H3.
What are the key properties of 2-(methoxymethyl)-1,4-diazepane?
2-(methoxymethyl)-1,4-diazepane has a molecular weight of 144.22 g/mol, XLogP of -0.42, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-1,4-diazepane is sourced from PubChem (CID 23090287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).