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

C10H24N2O — CID 162375776

IUPACethane;1-(2-methoxyethyl)-1,4-diazepane
SMILESCC.COCCN1CCCNCC1
InChIInChI=1S/C8H18N2O.C2H6/c1-11-8-7-10-5-2-3-9-4-6-10;1-2/h9H,2-8H2,1H3;1-2H3
InChIKeySUPFZNQNUCAWSS-UHFFFAOYSA-N
MW188.31 g/mol
LogP0.95
Rot. Bonds3

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

ethane;1-(2-methoxyethyl)-1,4-diazepane (PubChem CID 162375776) has the molecular formula C10H24N2O and a molecular weight of 188.31 g/mol. Its IUPAC name is ethane;1-(2-methoxyethyl)-1,4-diazepane.

Molecular Properties

Compound Nameethane;1-(2-methoxyethyl)-1,4-diazepane
PubChem CID162375776
Molecular FormulaC10H24N2O
Molecular Weight188.31 g/mol
Exact Mass188.19
IUPAC Nameethane;1-(2-methoxyethyl)-1,4-diazepane
SMILESCC.COCCN1CCCNCC1
InChIInChI=1S/C8H18N2O.C2H6/c1-11-8-7-10-5-2-3-9-4-6-10;1-2/h9H,2-8H2,1H3;1-2H3
InChIKeySUPFZNQNUCAWSS-UHFFFAOYSA-N
XLogP0.95
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.31
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethane;1-(2-methoxyethyl)-1,4-diazepane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethane;1-(2-methoxyethyl)-1,4-diazepane?
The IUPAC name of ethane;1-(2-methoxyethyl)-1,4-diazepane (CID 162375776) is ethane;1-(2-methoxyethyl)-1,4-diazepane.
What is the SMILES notation for ethane;1-(2-methoxyethyl)-1,4-diazepane?
The canonical SMILES for ethane;1-(2-methoxyethyl)-1,4-diazepane is CC.COCCN1CCCNCC1.
What is the InChIKey of ethane;1-(2-methoxyethyl)-1,4-diazepane?
The InChIKey is SUPFZNQNUCAWSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O.C2H6/c1-11-8-7-10-5-2-3-9-4-6-10;1-2/h9H,2-8H2,1H3;1-2H3.
What are the key properties of ethane;1-(2-methoxyethyl)-1,4-diazepane?
ethane;1-(2-methoxyethyl)-1,4-diazepane has a molecular weight of 188.31 g/mol, XLogP of 0.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(2-methoxyethyl)-1,4-diazepane is sourced from PubChem (CID 162375776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).