1-(methoxymethyl)-1,4-diazepane

C7H16N2O — CID 174500454

IUPAC1-(methoxymethyl)-1,4-diazepane
SMILESCOCN1CCCNCC1
InChIInChI=1S/C7H16N2O/c1-10-7-9-5-2-3-8-4-6-9/h8H,2-7H2,1H3
InChIKeyRYYIDPHGUBZEIJ-UHFFFAOYSA-N
MW144.22 g/mol
LogP-0.11
Rot. Bonds2

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

1-(methoxymethyl)-1,4-diazepane (PubChem CID 174500454) has the molecular formula C7H16N2O and a molecular weight of 144.22 g/mol. Its IUPAC name is 1-(methoxymethyl)-1,4-diazepane.

Molecular Properties

Compound Name1-(methoxymethyl)-1,4-diazepane
PubChem CID174500454
Molecular FormulaC7H16N2O
Molecular Weight144.22 g/mol
Exact Mass144.13
IUPAC Name1-(methoxymethyl)-1,4-diazepane
SMILESCOCN1CCCNCC1
InChIInChI=1S/C7H16N2O/c1-10-7-9-5-2-3-8-4-6-9/h8H,2-7H2,1H3
InChIKeyRYYIDPHGUBZEIJ-UHFFFAOYSA-N
XLogP-0.11
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.22
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-pyrrolidin-1-ylethyl)-1,4-diazepane
CID 2772404
2-(1,4-diazepan-1-yl)-N-(2-methoxyethyl)ethanamine
CID 62832411
2-methoxyethyl 2-(1,4-diazepan-1-yl)acetate
CID 62823958
1-[2-[3-(methoxymethyl)piperidin-1-yl]ethyl]-1,4-diazepane
CID 106587374
[4,8-bis[[hydroxy(oxo)phosphaniumyl]oxymethyl]-1,4,8,11-tetrazacyclotetradec-1-yl]methoxy-hydroxy-oxophosphanium
CID 88562902
1-heptyl-1,4,8,11-tetrazacyclotetradecane
CID 101356970
1-butyl-1,4-diazepane;ethane
CID 168976024
2-(1,4-diazepan-1-yl)ethanol
CID 2736550
1-(2-methylsulfinylethyl)-1,4-diazepane
CID 84662880
methyl 2-bromo-3-(1,4-diazepan-1-yl)propanoate
CID 81100239
2-[4-[2-(1,4-diazepan-1-yl)ethyl]piperazin-1-yl]-N,N-dimethylethanamine
CID 62887962
1-(piperidin-1-ylmethyl)piperazine
CID 20508970

Frequently Asked Questions

What is the IUPAC name of 1-(methoxymethyl)-1,4-diazepane?
The IUPAC name of 1-(methoxymethyl)-1,4-diazepane (CID 174500454) is 1-(methoxymethyl)-1,4-diazepane.
What is the SMILES notation for 1-(methoxymethyl)-1,4-diazepane?
The canonical SMILES for 1-(methoxymethyl)-1,4-diazepane is COCN1CCCNCC1.
What is the InChIKey of 1-(methoxymethyl)-1,4-diazepane?
The InChIKey is RYYIDPHGUBZEIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O/c1-10-7-9-5-2-3-8-4-6-9/h8H,2-7H2,1H3.
What are the key properties of 1-(methoxymethyl)-1,4-diazepane?
1-(methoxymethyl)-1,4-diazepane has a molecular weight of 144.22 g/mol, XLogP of -0.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methoxymethyl)-1,4-diazepane is sourced from PubChem (CID 174500454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).