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

C8H18N2O — CID 23090487

IUPAC2-(2-methoxyethyl)-1,4-diazepane
SMILESCOCCC1CNCCCN1
InChIInChI=1S/C8H18N2O/c1-11-6-3-8-7-9-4-2-5-10-8/h8-10H,2-7H2,1H3
InChIKeyOKDVRDNNDIDRKP-UHFFFAOYSA-N
MW158.25 g/mol
LogP-0.03
Rot. Bonds3

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

2-(2-methoxyethyl)-1,4-diazepane (PubChem CID 23090487) has the molecular formula C8H18N2O and a molecular weight of 158.25 g/mol. Its IUPAC name is 2-(2-methoxyethyl)-1,4-diazepane.

Molecular Properties

Compound Name2-(2-methoxyethyl)-1,4-diazepane
PubChem CID23090487
Molecular FormulaC8H18N2O
Molecular Weight158.25 g/mol
Exact Mass158.14
IUPAC Name2-(2-methoxyethyl)-1,4-diazepane
SMILESCOCCC1CNCCCN1
InChIInChI=1S/C8H18N2O/c1-11-6-3-8-7-9-4-2-5-10-8/h8-10H,2-7H2,1H3
InChIKeyOKDVRDNNDIDRKP-UHFFFAOYSA-N
XLogP-0.03
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.25
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethyl)-1,4-diazepane?
The IUPAC name of 2-(2-methoxyethyl)-1,4-diazepane (CID 23090487) is 2-(2-methoxyethyl)-1,4-diazepane.
What is the SMILES notation for 2-(2-methoxyethyl)-1,4-diazepane?
The canonical SMILES for 2-(2-methoxyethyl)-1,4-diazepane is COCCC1CNCCCN1.
What is the InChIKey of 2-(2-methoxyethyl)-1,4-diazepane?
The InChIKey is OKDVRDNNDIDRKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O/c1-11-6-3-8-7-9-4-2-5-10-8/h8-10H,2-7H2,1H3.
What are the key properties of 2-(2-methoxyethyl)-1,4-diazepane?
2-(2-methoxyethyl)-1,4-diazepane has a molecular weight of 158.25 g/mol, XLogP of -0.03, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethyl)-1,4-diazepane is sourced from PubChem (CID 23090487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).