2-[3-(N-methylanilino)-1-oxa-8-azaspiro[4.5]decan-8-yl]ethanol

C17H26N2O2 — CID 110131131

IUPAC2-[3-(N-methylanilino)-1-oxa-8-azaspiro[4.5]decan-8-yl]ethanol
SMILESCN(c1ccccc1)C1COC2(CCN(CCO)CC2)C1
InChIInChI=1S/C17H26N2O2/c1-18(15-5-3-2-4-6-15)16-13-17(21-14-16)7-9-19(10-8-17)11-12-20/h2-6,16,20H,7-14H2,1H3
InChIKeyNDJVPKGCXAMKIS-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.74
Rot. Bonds4

About 2-[3-(N-methylanilino)-1-oxa-8-azaspiro[4.5]decan-8-yl]ethanol

2-[3-(N-methylanilino)-1-oxa-8-azaspiro[4.5]decan-8-yl]ethanol (PubChem CID 110131131) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-[3-(N-methylanilino)-1-oxa-8-azaspiro[4.5]decan-8-yl]ethanol.

Molecular Properties

Compound Name2-[3-(N-methylanilino)-1-oxa-8-azaspiro[4.5]decan-8-yl]ethanol
PubChem CID110131131
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name2-[3-(N-methylanilino)-1-oxa-8-azaspiro[4.5]decan-8-yl]ethanol
SMILESCN(c1ccccc1)C1COC2(CCN(CCO)CC2)C1
InChIInChI=1S/C17H26N2O2/c1-18(15-5-3-2-4-6-15)16-13-17(21-14-16)7-9-19(10-8-17)11-12-20/h2-6,16,20H,7-14H2,1H3
InChIKeyNDJVPKGCXAMKIS-UHFFFAOYSA-N
XLogP1.74
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-phenyl-8-prop-2-enyl-1-oxa-8-azaspiro[4.5]decan-3-amine
CID 110131180
1-[3-(N-methylanilino)-1-oxa-8-azaspiro[4.5]decan-8-yl]ethanone
CID 110131133
2-(dimethylamino)-1-[3-(N-methylanilino)-1-oxa-8-azaspiro[4.5]decan-8-yl]ethanone
CID 110131158
3-methoxy-1-[3-(N-methylanilino)-1-oxa-8-azaspiro[4.5]decan-8-yl]propan-1-one
CID 110131152
1-[(3R)-3-(N-methylanilino)-1-oxa-8-azaspiro[4.5]decan-8-yl]-2-(4-methylpyrazol-1-yl)ethanone
CID 124954639
2-[(3S)-3-(N-ethylanilino)-1-oxa-8-azaspiro[4.5]decan-8-yl]acetic acid
CID 124943295
1-[(3S)-3-(N-methylanilino)-1-oxa-8-azaspiro[4.5]decan-8-yl]-2-pyrazol-1-ylethanone
CID 125005242
N-(2-fluoroethyl)-N-methyl-8-(2-phenylethyl)-1-oxa-8-azaspiro[4.5]decan-3-amine
CID 155878318
(2-amino-4-methyl-1,3-thiazol-5-yl)-[(3R)-3-(N-methylanilino)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 125025083
[(3R)-3-(N-methylanilino)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(4-methyl-1,3-oxazol-5-yl)methanone
CID 125006667
[3-(N-methylanilino)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(2-methylpyrimidin-4-yl)methanone
CID 110142221
[(3S)-3-(N-methylanilino)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(2-methylpyrimidin-4-yl)methanone
CID 124980773

Frequently Asked Questions

What is the IUPAC name of 2-[3-(N-methylanilino)-1-oxa-8-azaspiro[4.5]decan-8-yl]ethanol?
The IUPAC name of 2-[3-(N-methylanilino)-1-oxa-8-azaspiro[4.5]decan-8-yl]ethanol (CID 110131131) is 2-[3-(N-methylanilino)-1-oxa-8-azaspiro[4.5]decan-8-yl]ethanol.
What is the SMILES notation for 2-[3-(N-methylanilino)-1-oxa-8-azaspiro[4.5]decan-8-yl]ethanol?
The canonical SMILES for 2-[3-(N-methylanilino)-1-oxa-8-azaspiro[4.5]decan-8-yl]ethanol is CN(c1ccccc1)C1COC2(CCN(CCO)CC2)C1.
What is the InChIKey of 2-[3-(N-methylanilino)-1-oxa-8-azaspiro[4.5]decan-8-yl]ethanol?
The InChIKey is NDJVPKGCXAMKIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-18(15-5-3-2-4-6-15)16-13-17(21-14-16)7-9-19(10-8-17)11-12-20/h2-6,16,20H,7-14H2,1H3.
What are the key properties of 2-[3-(N-methylanilino)-1-oxa-8-azaspiro[4.5]decan-8-yl]ethanol?
2-[3-(N-methylanilino)-1-oxa-8-azaspiro[4.5]decan-8-yl]ethanol has a molecular weight of 290.41 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(N-methylanilino)-1-oxa-8-azaspiro[4.5]decan-8-yl]ethanol is sourced from PubChem (CID 110131131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).