2-ethoxyazepane

C8H17NO — CID 133058336

IUPAC2-ethoxyazepane
SMILESCCOC1CCCCCN1
InChIInChI=1S/C8H17NO/c1-2-10-8-6-4-3-5-7-9-8/h8-9H,2-7H2,1H3
InChIKeyXCVFZDDIKYAUJE-UHFFFAOYSA-N
MW143.23 g/mol
LogP1.51
Rot. Bonds2

About 2-ethoxyazepane

2-ethoxyazepane (PubChem CID 133058336) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is 2-ethoxyazepane.

Molecular Properties

Compound Name2-ethoxyazepane
PubChem CID133058336
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name2-ethoxyazepane
SMILESCCOC1CCCCCN1
InChIInChI=1S/C8H17NO/c1-2-10-8-6-4-3-5-7-9-8/h8-9H,2-7H2,1H3
InChIKeyXCVFZDDIKYAUJE-UHFFFAOYSA-N
XLogP1.51
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-ethoxyazetidine
CID 134536808
ethyl 2-piperidin-2-yloxyacetate
CID 68921876
(2S)-2-methoxypiperidine
CID 92859639
2-methoxypiperidine;hydrochloride
CID 12501435
2-(ethoxymethyl)azepane
CID 79569846
ethoxycyclooctane
CID 13427982
2-prop-2-enoxypyrrolidine
CID 173049550
1-(piperidin-2-yloxyamino)ethanol
CID 57158049
azane;ethoxycyclooctane
CID 70271275
2-(2-methylbutan-2-yl)azepane
CID 62677449
piperidin-2-yl octadecanoate
CID 54524837
butyl piperidin-2-yl carbonate
CID 54057815

Frequently Asked Questions

What is the IUPAC name of 2-ethoxyazepane?
The IUPAC name of 2-ethoxyazepane (CID 133058336) is 2-ethoxyazepane.
What is the SMILES notation for 2-ethoxyazepane?
The canonical SMILES for 2-ethoxyazepane is CCOC1CCCCCN1.
What is the InChIKey of 2-ethoxyazepane?
The InChIKey is XCVFZDDIKYAUJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO/c1-2-10-8-6-4-3-5-7-9-8/h8-9H,2-7H2,1H3.
What are the key properties of 2-ethoxyazepane?
2-ethoxyazepane has a molecular weight of 143.23 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxyazepane is sourced from PubChem (CID 133058336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).