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

C8H18N2O — CID 19019833

IUPAC1-(2-methoxyethyl)-1,4-diazepane
SMILESCOCCN1CCCNCC1
InChIInChI=1S/C8H18N2O/c1-11-8-7-10-5-2-3-9-4-6-10/h9H,2-8H2,1H3
InChIKeyPDGPTNXEAQRUMD-UHFFFAOYSA-N
MW158.24 g/mol
LogP-0.07
Rot. Bonds3

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

1-(2-methoxyethyl)-1,4-diazepane (PubChem CID 19019833) has the molecular formula C8H18N2O and a molecular weight of 158.24 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-1,4-diazepane.

Molecular Properties

Compound Name1-(2-methoxyethyl)-1,4-diazepane
PubChem CID19019833
Molecular FormulaC8H18N2O
Molecular Weight158.24 g/mol
Exact Mass158.14
IUPAC Name1-(2-methoxyethyl)-1,4-diazepane
SMILESCOCCN1CCCNCC1
InChIInChI=1S/C8H18N2O/c1-11-8-7-10-5-2-3-9-4-6-10/h9H,2-8H2,1H3
InChIKeyPDGPTNXEAQRUMD-UHFFFAOYSA-N
XLogP-0.07
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
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 1-(2-methoxyethyl)-1,4-diazepane?
The IUPAC name of 1-(2-methoxyethyl)-1,4-diazepane (CID 19019833) is 1-(2-methoxyethyl)-1,4-diazepane.
What is the SMILES notation for 1-(2-methoxyethyl)-1,4-diazepane?
The canonical SMILES for 1-(2-methoxyethyl)-1,4-diazepane is COCCN1CCCNCC1.
What is the InChIKey of 1-(2-methoxyethyl)-1,4-diazepane?
The InChIKey is PDGPTNXEAQRUMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O/c1-11-8-7-10-5-2-3-9-4-6-10/h9H,2-8H2,1H3.
What are the key properties of 1-(2-methoxyethyl)-1,4-diazepane?
1-(2-methoxyethyl)-1,4-diazepane has a molecular weight of 158.24 g/mol, XLogP of -0.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-1,4-diazepane is sourced from PubChem (CID 19019833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).