2-(ethoxymethyl)azepane

C9H19NO — CID 79569846

IUPAC2-(ethoxymethyl)azepane
SMILESCCOCC1CCCCCN1
InChIInChI=1S/C9H19NO/c1-2-11-8-9-6-4-3-5-7-10-9/h9-10H,2-8H2,1H3
InChIKeyBZXITPCDANGYIC-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.56
Rot. Bonds3

About 2-(ethoxymethyl)azepane

2-(ethoxymethyl)azepane (PubChem CID 79569846) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 2-(ethoxymethyl)azepane.

Molecular Properties

Compound Name2-(ethoxymethyl)azepane
PubChem CID79569846
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name2-(ethoxymethyl)azepane
SMILESCCOCC1CCCCCN1
InChIInChI=1S/C9H19NO/c1-2-11-8-9-6-4-3-5-7-10-9/h9-10H,2-8H2,1H3
InChIKeyBZXITPCDANGYIC-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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Related Compounds

2-(ethoxymethyl)pyrrolidine;2-(methoxymethyl)pyrrolidine
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2-(2-propoxyethoxymethyl)piperidine
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2-(cyclohexylmethoxymethyl)pyrrolidine
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2-(2-methylprop-2-enoxymethyl)piperidine
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6-(propoxymethyl)-1-oxa-5-azacyclododecane
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2-(cyclohexyloxymethyl)piperidine
CID 24699703
2-(2,2,2-trifluoroethoxymethyl)piperidine
CID 24702991
2-ethoxy-N-(2-ethoxyethyl)-N-(piperidin-2-ylmethyl)ethanamine
CID 82954745
(2S)-2-(1-ethoxypropan-2-yloxymethyl)pyrrolidine
CID 103488467
(2R)-2-(octoxymethyl)pyrrolidine
CID 102820024
2-ethylpiperidine;hydrobromide
CID 131717239

Frequently Asked Questions

What is the IUPAC name of 2-(ethoxymethyl)azepane?
The IUPAC name of 2-(ethoxymethyl)azepane (CID 79569846) is 2-(ethoxymethyl)azepane.
What is the SMILES notation for 2-(ethoxymethyl)azepane?
The canonical SMILES for 2-(ethoxymethyl)azepane is CCOCC1CCCCCN1.
What is the InChIKey of 2-(ethoxymethyl)azepane?
The InChIKey is BZXITPCDANGYIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-2-11-8-9-6-4-3-5-7-10-9/h9-10H,2-8H2,1H3.
What are the key properties of 2-(ethoxymethyl)azepane?
2-(ethoxymethyl)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-(ethoxymethyl)azepane is sourced from PubChem (CID 79569846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).