7-(methoxymethyl)-1-methyl-1,4-diazepane

C8H18N2O — CID 23090403

IUPAC7-(methoxymethyl)-1-methyl-1,4-diazepane
SMILESCOCC1CCNCCN1C
InChIInChI=1S/C8H18N2O/c1-10-6-5-9-4-3-8(10)7-11-2/h8-9H,3-7H2,1-2H3
InChIKeyYLINKXSVWMRWOX-UHFFFAOYSA-N
MW158.25 g/mol
LogP-0.07
Rot. Bonds2

About 7-(methoxymethyl)-1-methyl-1,4-diazepane

7-(methoxymethyl)-1-methyl-1,4-diazepane (PubChem CID 23090403) has the molecular formula C8H18N2O and a molecular weight of 158.25 g/mol. Its IUPAC name is 7-(methoxymethyl)-1-methyl-1,4-diazepane.

Molecular Properties

Compound Name7-(methoxymethyl)-1-methyl-1,4-diazepane
PubChem CID23090403
Molecular FormulaC8H18N2O
Molecular Weight158.25 g/mol
Exact Mass158.14
IUPAC Name7-(methoxymethyl)-1-methyl-1,4-diazepane
SMILESCOCC1CCNCCN1C
InChIInChI=1S/C8H18N2O/c1-10-6-5-9-4-3-8(10)7-11-2/h8-9H,3-7H2,1-2H3
InChIKeyYLINKXSVWMRWOX-UHFFFAOYSA-N
XLogP-0.07
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.25
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(methoxymethyl)-1-methyl-1,4-diazepane?
The IUPAC name of 7-(methoxymethyl)-1-methyl-1,4-diazepane (CID 23090403) is 7-(methoxymethyl)-1-methyl-1,4-diazepane.
What is the SMILES notation for 7-(methoxymethyl)-1-methyl-1,4-diazepane?
The canonical SMILES for 7-(methoxymethyl)-1-methyl-1,4-diazepane is COCC1CCNCCN1C.
What is the InChIKey of 7-(methoxymethyl)-1-methyl-1,4-diazepane?
The InChIKey is YLINKXSVWMRWOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O/c1-10-6-5-9-4-3-8(10)7-11-2/h8-9H,3-7H2,1-2H3.
What are the key properties of 7-(methoxymethyl)-1-methyl-1,4-diazepane?
7-(methoxymethyl)-1-methyl-1,4-diazepane has a molecular weight of 158.25 g/mol, XLogP of -0.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(methoxymethyl)-1-methyl-1,4-diazepane is sourced from PubChem (CID 23090403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).