(3R)-8-(cyclopropylmethyl)-3-ethoxy-1-oxa-8-azaspiro[4.5]decane

C14H25NO2 — CID 97371478

IUPAC(3R)-8-(cyclopropylmethyl)-3-ethoxy-1-oxa-8-azaspiro[4.5]decane
SMILESCCO[C@H]1COC2(CCN(CC3CC3)CC2)C1
InChIInChI=1S/C14H25NO2/c1-2-16-13-9-14(17-11-13)5-7-15(8-6-14)10-12-3-4-12/h12-13H,2-11H2,1H3/t13-/m1/s1
InChIKeyVKQHZEVAOQSGGB-CYBMUJFWSA-N
MW239.36 g/mol
LogP2.06
Rot. Bonds4

About (3R)-8-(cyclopropylmethyl)-3-ethoxy-1-oxa-8-azaspiro[4.5]decane

(3R)-8-(cyclopropylmethyl)-3-ethoxy-1-oxa-8-azaspiro[4.5]decane (PubChem CID 97371478) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is (3R)-8-(cyclopropylmethyl)-3-ethoxy-1-oxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name(3R)-8-(cyclopropylmethyl)-3-ethoxy-1-oxa-8-azaspiro[4.5]decane
PubChem CID97371478
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Name(3R)-8-(cyclopropylmethyl)-3-ethoxy-1-oxa-8-azaspiro[4.5]decane
SMILESCCO[C@H]1COC2(CCN(CC3CC3)CC2)C1
InChIInChI=1S/C14H25NO2/c1-2-16-13-9-14(17-11-13)5-7-15(8-6-14)10-12-3-4-12/h12-13H,2-11H2,1H3/t13-/m1/s1
InChIKeyVKQHZEVAOQSGGB-CYBMUJFWSA-N
XLogP2.06
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-8-(cyclopropylmethyl)-3-ethoxy-1-oxa-8-azaspiro[4.5]decane?
The IUPAC name of (3R)-8-(cyclopropylmethyl)-3-ethoxy-1-oxa-8-azaspiro[4.5]decane (CID 97371478) is (3R)-8-(cyclopropylmethyl)-3-ethoxy-1-oxa-8-azaspiro[4.5]decane.
What is the SMILES notation for (3R)-8-(cyclopropylmethyl)-3-ethoxy-1-oxa-8-azaspiro[4.5]decane?
The canonical SMILES for (3R)-8-(cyclopropylmethyl)-3-ethoxy-1-oxa-8-azaspiro[4.5]decane is CCO[C@H]1COC2(CCN(CC3CC3)CC2)C1.
What is the InChIKey of (3R)-8-(cyclopropylmethyl)-3-ethoxy-1-oxa-8-azaspiro[4.5]decane?
The InChIKey is VKQHZEVAOQSGGB-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H25NO2/c1-2-16-13-9-14(17-11-13)5-7-15(8-6-14)10-12-3-4-12/h12-13H,2-11H2,1H3/t13-/m1/s1.
What are the key properties of (3R)-8-(cyclopropylmethyl)-3-ethoxy-1-oxa-8-azaspiro[4.5]decane?
(3R)-8-(cyclopropylmethyl)-3-ethoxy-1-oxa-8-azaspiro[4.5]decane has a molecular weight of 239.36 g/mol, XLogP of 2.06, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-8-(cyclopropylmethyl)-3-ethoxy-1-oxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 97371478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).