N-methyl-N-phenyl-8-prop-2-enyl-1-oxa-8-azaspiro[4.5]decan-3-amine

C18H26N2O — CID 110131180

IUPACN-methyl-N-phenyl-8-prop-2-enyl-1-oxa-8-azaspiro[4.5]decan-3-amine
SMILESC=CCN1CCC2(CC1)CC(N(C)c1ccccc1)CO2
InChIInChI=1S/C18H26N2O/c1-3-11-20-12-9-18(10-13-20)14-17(15-21-18)19(2)16-7-5-4-6-8-16/h3-8,17H,1,9-15H2,2H3
InChIKeyQKKMPFMINUJYOA-UHFFFAOYSA-N
MW286.42 g/mol
LogP2.93
Rot. Bonds4

About N-methyl-N-phenyl-8-prop-2-enyl-1-oxa-8-azaspiro[4.5]decan-3-amine

N-methyl-N-phenyl-8-prop-2-enyl-1-oxa-8-azaspiro[4.5]decan-3-amine (PubChem CID 110131180) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is N-methyl-N-phenyl-8-prop-2-enyl-1-oxa-8-azaspiro[4.5]decan-3-amine.

Molecular Properties

Compound NameN-methyl-N-phenyl-8-prop-2-enyl-1-oxa-8-azaspiro[4.5]decan-3-amine
PubChem CID110131180
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC NameN-methyl-N-phenyl-8-prop-2-enyl-1-oxa-8-azaspiro[4.5]decan-3-amine
SMILESC=CCN1CCC2(CC1)CC(N(C)c1ccccc1)CO2
InChIInChI=1S/C18H26N2O/c1-3-11-20-12-9-18(10-13-20)14-17(15-21-18)19(2)16-7-5-4-6-8-16/h3-8,17H,1,9-15H2,2H3
InChIKeyQKKMPFMINUJYOA-UHFFFAOYSA-N
XLogP2.93
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[3-(N-methylanilino)-1-oxa-8-azaspiro[4.5]decan-8-yl]ethanol
CID 110131131
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-[(3S)-3-(N-methylanilino)-1-oxa-8-azaspiro[4.5]decan-8-yl]-2-pyrazol-1-ylethanone
CID 125005242
2-[(3S)-3-(N-ethylanilino)-1-oxa-8-azaspiro[4.5]decan-8-yl]acetic acid
CID 124943295
1-[(3R)-3-(N-methylanilino)-1-oxa-8-azaspiro[4.5]decan-8-yl]-2-(4-methylpyrazol-1-yl)ethanone
CID 124954639
[(3R)-3-(N-methylanilino)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(4-methyl-1,3-oxazol-5-yl)methanone
CID 125006667
N-(2-fluoroethyl)-N-methyl-8-(2-phenylethyl)-1-oxa-8-azaspiro[4.5]decan-3-amine
CID 155878318
[(3R)-3-(N-methylanilino)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(2-propan-2-ylpyrazol-3-yl)methanone
CID 124958394
[(3R)-3-(N-methylanilino)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(2-methylpyrimidin-4-yl)methanone
CID 124980772
[(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 N-methyl-N-phenyl-8-prop-2-enyl-1-oxa-8-azaspiro[4.5]decan-3-amine?
The IUPAC name of N-methyl-N-phenyl-8-prop-2-enyl-1-oxa-8-azaspiro[4.5]decan-3-amine (CID 110131180) is N-methyl-N-phenyl-8-prop-2-enyl-1-oxa-8-azaspiro[4.5]decan-3-amine.
What is the SMILES notation for N-methyl-N-phenyl-8-prop-2-enyl-1-oxa-8-azaspiro[4.5]decan-3-amine?
The canonical SMILES for N-methyl-N-phenyl-8-prop-2-enyl-1-oxa-8-azaspiro[4.5]decan-3-amine is C=CCN1CCC2(CC1)CC(N(C)c1ccccc1)CO2.
What is the InChIKey of N-methyl-N-phenyl-8-prop-2-enyl-1-oxa-8-azaspiro[4.5]decan-3-amine?
The InChIKey is QKKMPFMINUJYOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-3-11-20-12-9-18(10-13-20)14-17(15-21-18)19(2)16-7-5-4-6-8-16/h3-8,17H,1,9-15H2,2H3.
What are the key properties of N-methyl-N-phenyl-8-prop-2-enyl-1-oxa-8-azaspiro[4.5]decan-3-amine?
N-methyl-N-phenyl-8-prop-2-enyl-1-oxa-8-azaspiro[4.5]decan-3-amine has a molecular weight of 286.42 g/mol, XLogP of 2.93, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-phenyl-8-prop-2-enyl-1-oxa-8-azaspiro[4.5]decan-3-amine is sourced from PubChem (CID 110131180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).