(4S)-4-tert-butyl-1-ethyl-8-oxa-1-azaspiro[4.5]decane

C14H27NO — CID 154953071

IUPAC(4S)-4-tert-butyl-1-ethyl-8-oxa-1-azaspiro[4.5]decane
SMILESCCN1CC[C@@H](C(C)(C)C)C12CCOCC2
InChIInChI=1S/C14H27NO/c1-5-15-9-6-12(13(2,3)4)14(15)7-10-16-11-8-14/h12H,5-11H2,1-4H3/t12-/m0/s1
InChIKeyHTDCCNYHLHDKOL-LBPRGKRZSA-N
MW225.38 g/mol
LogP2.92
Rot. Bonds1

About (4S)-4-tert-butyl-1-ethyl-8-oxa-1-azaspiro[4.5]decane

(4S)-4-tert-butyl-1-ethyl-8-oxa-1-azaspiro[4.5]decane (PubChem CID 154953071) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is (4S)-4-tert-butyl-1-ethyl-8-oxa-1-azaspiro[4.5]decane.

Molecular Properties

Compound Name(4S)-4-tert-butyl-1-ethyl-8-oxa-1-azaspiro[4.5]decane
PubChem CID154953071
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name(4S)-4-tert-butyl-1-ethyl-8-oxa-1-azaspiro[4.5]decane
SMILESCCN1CC[C@@H](C(C)(C)C)C12CCOCC2
InChIInChI=1S/C14H27NO/c1-5-15-9-6-12(13(2,3)4)14(15)7-10-16-11-8-14/h12H,5-11H2,1-4H3/t12-/m0/s1
InChIKeyHTDCCNYHLHDKOL-LBPRGKRZSA-N
XLogP2.92
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4R)-1-ethyl-4-methyl-7-oxa-1-azaspiro[4.4]nonane
CID 152875103
1-propyl-8-oxa-1-azaspiro[4.5]decan-4-amine
CID 165444888
(6S,11S)-1,11-diethyl-8-oxa-1-azaspiro[5.5]undecane
CID 122597278
cyclopentyl-(1-ethyl-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl)methanone
CID 97491865
3,4-diethyl-3-methylmorpholine
CID 127682047
4-tert-butyl-1-ethyl-8-oxa-1-azaspiro[4.5]dec-3-ene
CID 152920624
(1-ethyl-2-methylcycloheptyl)-morpholin-4-ylmethanone
CID 20549212
3-tert-butyl-5-methyl-5-azaspiro[3.4]octane
CID 171594521
4-[(1-ethylpiperidin-4-yl)methyl]morpholine;propane
CID 176563536
[(3aR,8aR)-1-ethyl-6-ethylsulfonyl-3,4,5,7,8,8a-hexahydro-2H-pyrrolo[2,3-d]azepin-3a-yl]-morpholin-4-ylmethanone
CID 97440857
(4-tert-butylcyclohexyl)-morpholin-4-ylmethanone;ethane
CID 164918983
1-ethyl-2-morpholin-4-ylcyclopentan-1-ol
CID 121218976

Frequently Asked Questions

What is the IUPAC name of (4S)-4-tert-butyl-1-ethyl-8-oxa-1-azaspiro[4.5]decane?
The IUPAC name of (4S)-4-tert-butyl-1-ethyl-8-oxa-1-azaspiro[4.5]decane (CID 154953071) is (4S)-4-tert-butyl-1-ethyl-8-oxa-1-azaspiro[4.5]decane.
What is the SMILES notation for (4S)-4-tert-butyl-1-ethyl-8-oxa-1-azaspiro[4.5]decane?
The canonical SMILES for (4S)-4-tert-butyl-1-ethyl-8-oxa-1-azaspiro[4.5]decane is CCN1CC[C@@H](C(C)(C)C)C12CCOCC2.
What is the InChIKey of (4S)-4-tert-butyl-1-ethyl-8-oxa-1-azaspiro[4.5]decane?
The InChIKey is HTDCCNYHLHDKOL-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H27NO/c1-5-15-9-6-12(13(2,3)4)14(15)7-10-16-11-8-14/h12H,5-11H2,1-4H3/t12-/m0/s1.
What are the key properties of (4S)-4-tert-butyl-1-ethyl-8-oxa-1-azaspiro[4.5]decane?
(4S)-4-tert-butyl-1-ethyl-8-oxa-1-azaspiro[4.5]decane has a molecular weight of 225.38 g/mol, XLogP of 2.92, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-tert-butyl-1-ethyl-8-oxa-1-azaspiro[4.5]decane is sourced from PubChem (CID 154953071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).