(3S,4S)-8-ethyl-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine

C11H22N2O — CID 146477428

IUPAC(3S,4S)-8-ethyl-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine
SMILESCCN1CCC2(CC1)CO[C@@H](C)[C@H]2N
InChIInChI=1S/C11H22N2O/c1-3-13-6-4-11(5-7-13)8-14-9(2)10(11)12/h9-10H,3-8,12H2,1-2H3/t9-,10+/m0/s1
InChIKeyYJKHLUGIGHEMCI-VHSXEESVSA-N
MW198.31 g/mol
LogP0.83
Rot. Bonds1

About (3S,4S)-8-ethyl-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine

(3S,4S)-8-ethyl-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine (PubChem CID 146477428) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is (3S,4S)-8-ethyl-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine.

Molecular Properties

Compound Name(3S,4S)-8-ethyl-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine
PubChem CID146477428
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name(3S,4S)-8-ethyl-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine
SMILESCCN1CCC2(CC1)CO[C@@H](C)[C@H]2N
InChIInChI=1S/C11H22N2O/c1-3-13-6-4-11(5-7-13)8-14-9(2)10(11)12/h9-10H,3-8,12H2,1-2H3/t9-,10+/m0/s1
InChIKeyYJKHLUGIGHEMCI-VHSXEESVSA-N
XLogP0.83
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-8-methylsulfanyl-2-oxa-8-azaspiro[4.5]decan-4-amine
CID 146642338
[3-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-6-bromo-5-methylpyrazin-2-yl]methanol
CID 134183065
(3S,4S)-3-ethyl-8-propan-2-yl-2-oxa-8-azaspiro[4.5]decan-4-amine
CID 146477418
3,9-diethyl-3,9-diazaspiro[5.5]undecane
CID 20622591
ethyl 6-ethyl-6-azaspiro[2.5]octane-2-carboxylate
CID 144539360
(3S,4S)-8-(8-bromo-7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl)-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine
CID 146645422
[1-ethyl-4-(4-methylpiperidin-1-yl)azepan-4-yl]methanamine
CID 65078792
(1R,4E)-8-ethyl-4-ethylidene-2-methyl-8-azaspiro[4.5]decan-1-amine
CID 166881310
5-ethyl-2,2,8,8-tetramethyl-10-oxa-5-azabicyclo[7.1.0]decane
CID 91349138
1-ethyl-4,4-dimethylpiperidine;hydrate
CID 178113144
4-[1-(aminomethyl)-4-methylcyclohexyl]-1-ethylpiperidin-4-ol
CID 79135740
(3S,4S)-8-[5-(difluoromethyl)-3-iodo-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-b]pyrazin-6-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine
CID 166521204

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-8-ethyl-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine?
The IUPAC name of (3S,4S)-8-ethyl-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine (CID 146477428) is (3S,4S)-8-ethyl-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine.
What is the SMILES notation for (3S,4S)-8-ethyl-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine?
The canonical SMILES for (3S,4S)-8-ethyl-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine is CCN1CCC2(CC1)CO[C@@H](C)[C@H]2N.
What is the InChIKey of (3S,4S)-8-ethyl-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine?
The InChIKey is YJKHLUGIGHEMCI-VHSXEESVSA-N. The full InChI is InChI=1S/C11H22N2O/c1-3-13-6-4-11(5-7-13)8-14-9(2)10(11)12/h9-10H,3-8,12H2,1-2H3/t9-,10+/m0/s1.
What are the key properties of (3S,4S)-8-ethyl-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine?
(3S,4S)-8-ethyl-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine has a molecular weight of 198.31 g/mol, XLogP of 0.83, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-8-ethyl-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine is sourced from PubChem (CID 146477428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).