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

C8H20Cl2N2O — CID 138040775

IUPAC1-(2-methoxyethyl)-1,4-diazepane;dihydrochloride
SMILESCOCCN1CCCNCC1.Cl.Cl
InChIInChI=1S/C8H18N2O.2ClH/c1-11-8-7-10-5-2-3-9-4-6-10;;/h9H,2-8H2,1H3;2*1H
InChIKeyFCVVYNHYOYDIMQ-UHFFFAOYSA-N
MW231.17 g/mol
LogP0.77
Rot. Bonds3

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

1-(2-methoxyethyl)-1,4-diazepane;dihydrochloride (PubChem CID 138040775) has the molecular formula C8H20Cl2N2O and a molecular weight of 231.17 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-1,4-diazepane;dihydrochloride.

Molecular Properties

Compound Name1-(2-methoxyethyl)-1,4-diazepane;dihydrochloride
PubChem CID138040775
Molecular FormulaC8H20Cl2N2O
Molecular Weight231.17 g/mol
Exact Mass230.10
IUPAC Name1-(2-methoxyethyl)-1,4-diazepane;dihydrochloride
SMILESCOCCN1CCCNCC1.Cl.Cl
InChIInChI=1S/C8H18N2O.2ClH/c1-11-8-7-10-5-2-3-9-4-6-10;;/h9H,2-8H2,1H3;2*1H
InChIKeyFCVVYNHYOYDIMQ-UHFFFAOYSA-N
XLogP0.77
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.17
LogP ≤ 50.77
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;dihydrochloride?
The IUPAC name of 1-(2-methoxyethyl)-1,4-diazepane;dihydrochloride (CID 138040775) is 1-(2-methoxyethyl)-1,4-diazepane;dihydrochloride.
What is the SMILES notation for 1-(2-methoxyethyl)-1,4-diazepane;dihydrochloride?
The canonical SMILES for 1-(2-methoxyethyl)-1,4-diazepane;dihydrochloride is COCCN1CCCNCC1.Cl.Cl.
What is the InChIKey of 1-(2-methoxyethyl)-1,4-diazepane;dihydrochloride?
The InChIKey is FCVVYNHYOYDIMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O.2ClH/c1-11-8-7-10-5-2-3-9-4-6-10;;/h9H,2-8H2,1H3;2*1H.
What are the key properties of 1-(2-methoxyethyl)-1,4-diazepane;dihydrochloride?
1-(2-methoxyethyl)-1,4-diazepane;dihydrochloride has a molecular weight of 231.17 g/mol, XLogP of 0.77, 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;dihydrochloride is sourced from PubChem (CID 138040775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).