2-(2-methoxyethyl)azepane

C9H19NO — CID 19369197

IUPAC2-(2-methoxyethyl)azepane
SMILESCOCCC1CCCCCN1
InChIInChI=1S/C9H19NO/c1-11-8-6-9-5-3-2-4-7-10-9/h9-10H,2-8H2,1H3
InChIKeySIMSWUXEGMOROC-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.56
Rot. Bonds3

About 2-(2-methoxyethyl)azepane

2-(2-methoxyethyl)azepane (PubChem CID 19369197) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 2-(2-methoxyethyl)azepane.

Molecular Properties

Compound Name2-(2-methoxyethyl)azepane
PubChem CID19369197
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name2-(2-methoxyethyl)azepane
SMILESCOCCC1CCCCCN1
InChIInChI=1S/C9H19NO/c1-11-8-6-9-5-3-2-4-7-10-9/h9-10H,2-8H2,1H3
InChIKeySIMSWUXEGMOROC-UHFFFAOYSA-N
XLogP1.56
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethyl)azepane?
The IUPAC name of 2-(2-methoxyethyl)azepane (CID 19369197) is 2-(2-methoxyethyl)azepane.
What is the SMILES notation for 2-(2-methoxyethyl)azepane?
The canonical SMILES for 2-(2-methoxyethyl)azepane is COCCC1CCCCCN1.
What is the InChIKey of 2-(2-methoxyethyl)azepane?
The InChIKey is SIMSWUXEGMOROC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-11-8-6-9-5-3-2-4-7-10-9/h9-10H,2-8H2,1H3.
What are the key properties of 2-(2-methoxyethyl)azepane?
2-(2-methoxyethyl)azepane has a molecular weight of 157.26 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethyl)azepane is sourced from PubChem (CID 19369197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).