(5S,6R)-4,6-di(propan-2-yl)-1-oxa-4-azaspiro[4.5]decane

C14H27NO — CID 122598488

IUPAC(5S,6R)-4,6-di(propan-2-yl)-1-oxa-4-azaspiro[4.5]decane
SMILESCC(C)[C@H]1CCCC[C@]12OCCN2C(C)C
InChIInChI=1S/C14H27NO/c1-11(2)13-7-5-6-8-14(13)15(12(3)4)9-10-16-14/h11-13H,5-10H2,1-4H3/t13-,14+/m1/s1
InChIKeyUKWFQTKVADRNSO-KGLIPLIRSA-N
MW225.38 g/mol
LogP3.27
Rot. Bonds2

About (5S,6R)-4,6-di(propan-2-yl)-1-oxa-4-azaspiro[4.5]decane

(5S,6R)-4,6-di(propan-2-yl)-1-oxa-4-azaspiro[4.5]decane (PubChem CID 122598488) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is (5S,6R)-4,6-di(propan-2-yl)-1-oxa-4-azaspiro[4.5]decane.

Molecular Properties

Compound Name(5S,6R)-4,6-di(propan-2-yl)-1-oxa-4-azaspiro[4.5]decane
PubChem CID122598488
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name(5S,6R)-4,6-di(propan-2-yl)-1-oxa-4-azaspiro[4.5]decane
SMILESCC(C)[C@H]1CCCC[C@]12OCCN2C(C)C
InChIInChI=1S/C14H27NO/c1-11(2)13-7-5-6-8-14(13)15(12(3)4)9-10-16-14/h11-13H,5-10H2,1-4H3/t13-,14+/m1/s1
InChIKeyUKWFQTKVADRNSO-KGLIPLIRSA-N
XLogP3.27
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-propan-2-yl-1-oxaspiro[3.5]nonane
CID 118613178
9-propan-2-ylspiro[3.5]nonane
CID 140652255
8-propan-2-yl-4-oxaspiro[2.5]octane
CID 176797220
[1,2-di(propan-2-yl)cyclohexyl]phosphane
CID 66647929
1,1-dimethyl-2-propan-2-ylcyclopentane
CID 23384810
2-methyl-1,2,3-tri(propan-2-yl)pyrrolidine
CID 130250470
(5S,6R)-6-propan-2-yl-1-azaspiro[4.5]decane
CID 121382404
7-propan-2-ylspiro[2.4]heptane
CID 154526076
(3R,5R,6R)-3-methyl-4,6-di(propan-2-yl)-1,9-dioxa-4-azaspiro[4.5]decane
CID 122598537
6-propan-2-yl-1-azaspiro[4.6]undecane
CID 171423222
(5R)-6-propan-2-yl-2-oxa-6-azaspiro[4.5]decane
CID 170024825
6-propan-2-yl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 115563241

Frequently Asked Questions

What is the IUPAC name of (5S,6R)-4,6-di(propan-2-yl)-1-oxa-4-azaspiro[4.5]decane?
The IUPAC name of (5S,6R)-4,6-di(propan-2-yl)-1-oxa-4-azaspiro[4.5]decane (CID 122598488) is (5S,6R)-4,6-di(propan-2-yl)-1-oxa-4-azaspiro[4.5]decane.
What is the SMILES notation for (5S,6R)-4,6-di(propan-2-yl)-1-oxa-4-azaspiro[4.5]decane?
The canonical SMILES for (5S,6R)-4,6-di(propan-2-yl)-1-oxa-4-azaspiro[4.5]decane is CC(C)[C@H]1CCCC[C@]12OCCN2C(C)C.
What is the InChIKey of (5S,6R)-4,6-di(propan-2-yl)-1-oxa-4-azaspiro[4.5]decane?
The InChIKey is UKWFQTKVADRNSO-KGLIPLIRSA-N. The full InChI is InChI=1S/C14H27NO/c1-11(2)13-7-5-6-8-14(13)15(12(3)4)9-10-16-14/h11-13H,5-10H2,1-4H3/t13-,14+/m1/s1.
What are the key properties of (5S,6R)-4,6-di(propan-2-yl)-1-oxa-4-azaspiro[4.5]decane?
(5S,6R)-4,6-di(propan-2-yl)-1-oxa-4-azaspiro[4.5]decane has a molecular weight of 225.38 g/mol, XLogP of 3.27, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,6R)-4,6-di(propan-2-yl)-1-oxa-4-azaspiro[4.5]decane is sourced from PubChem (CID 122598488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).