N-ethyl-7-(2-ethyl-5-methylpyrrolidin-1-yl)-1,4-dioxaspiro[4.5]decan-8-amine

C17H32N2O2 — CID 83219193

IUPACN-ethyl-7-(2-ethyl-5-methylpyrrolidin-1-yl)-1,4-dioxaspiro[4.5]decan-8-amine
SMILESCCNC1CCC2(CC1N1C(C)CCC1CC)OCCO2
InChIInChI=1S/C17H32N2O2/c1-4-14-7-6-13(3)19(14)16-12-17(20-10-11-21-17)9-8-15(16)18-5-2/h13-16,18H,4-12H2,1-3H3
InChIKeyQNYXRLHOWNZUBA-UHFFFAOYSA-N
MW296.45 g/mol
LogP2.52
Rot. Bonds4

About N-ethyl-7-(2-ethyl-5-methylpyrrolidin-1-yl)-1,4-dioxaspiro[4.5]decan-8-amine

N-ethyl-7-(2-ethyl-5-methylpyrrolidin-1-yl)-1,4-dioxaspiro[4.5]decan-8-amine (PubChem CID 83219193) has the molecular formula C17H32N2O2 and a molecular weight of 296.45 g/mol. Its IUPAC name is N-ethyl-7-(2-ethyl-5-methylpyrrolidin-1-yl)-1,4-dioxaspiro[4.5]decan-8-amine.

Molecular Properties

Compound NameN-ethyl-7-(2-ethyl-5-methylpyrrolidin-1-yl)-1,4-dioxaspiro[4.5]decan-8-amine
PubChem CID83219193
Molecular FormulaC17H32N2O2
Molecular Weight296.45 g/mol
Exact Mass296.25
IUPAC NameN-ethyl-7-(2-ethyl-5-methylpyrrolidin-1-yl)-1,4-dioxaspiro[4.5]decan-8-amine
SMILESCCNC1CCC2(CC1N1C(C)CCC1CC)OCCO2
InChIInChI=1S/C17H32N2O2/c1-4-14-7-6-13(3)19(14)16-12-17(20-10-11-21-17)9-8-15(16)18-5-2/h13-16,18H,4-12H2,1-3H3
InChIKeyQNYXRLHOWNZUBA-UHFFFAOYSA-N
XLogP2.52
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.45
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-N-ethyl-1,4-dioxaspiro[4.5]decan-8-amine
CID 115559480
N-ethyl-2-(2-ethyl-5-methylpyrrolidin-1-yl)-4-propan-2-ylcyclohexan-1-amine
CID 83227358
3-(2-ethyl-5-methylpyrrolidin-1-yl)-N-propyloxan-4-amine
CID 83227452
7-(2,2-difluoroethoxy)-N-ethyl-1,4-dioxaspiro[4.5]decan-8-amine
CID 82004248
N-ethyl-7-(2-methoxyethylsulfanyl)-1,4-dioxaspiro[4.5]decan-8-amine
CID 64612372
N-ethyl-7-(oxan-4-ylsulfinyl)-1,4-dioxaspiro[4.5]decan-8-amine
CID 64656262
3-[[8-(ethylamino)-1,4-dioxaspiro[4.5]decan-7-yl]sulfanyl]butan-2-ol
CID 107772699
N-ethyl-7-(5-methylpyrimidin-2-yl)sulfanyl-1,4-dioxaspiro[4.5]decan-8-amine
CID 64628559
N-ethyl-7-(oxolan-2-ylmethylsulfinyl)-1,4-dioxaspiro[4.5]decan-8-amine
CID 106496216
1-(ethylamino)-3-(2-ethyl-5-methylpyrrolidin-1-yl)cyclohexane-1-carbonitrile
CID 83221342
7-(2,3-dimethylpiperidin-1-yl)-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine
CID 62123551
2-(2-ethyl-5-methylpyrrolidin-1-yl)cyclododecan-1-ol
CID 83220364

Frequently Asked Questions

What is the IUPAC name of N-ethyl-7-(2-ethyl-5-methylpyrrolidin-1-yl)-1,4-dioxaspiro[4.5]decan-8-amine?
The IUPAC name of N-ethyl-7-(2-ethyl-5-methylpyrrolidin-1-yl)-1,4-dioxaspiro[4.5]decan-8-amine (CID 83219193) is N-ethyl-7-(2-ethyl-5-methylpyrrolidin-1-yl)-1,4-dioxaspiro[4.5]decan-8-amine.
What is the SMILES notation for N-ethyl-7-(2-ethyl-5-methylpyrrolidin-1-yl)-1,4-dioxaspiro[4.5]decan-8-amine?
The canonical SMILES for N-ethyl-7-(2-ethyl-5-methylpyrrolidin-1-yl)-1,4-dioxaspiro[4.5]decan-8-amine is CCNC1CCC2(CC1N1C(C)CCC1CC)OCCO2.
What is the InChIKey of N-ethyl-7-(2-ethyl-5-methylpyrrolidin-1-yl)-1,4-dioxaspiro[4.5]decan-8-amine?
The InChIKey is QNYXRLHOWNZUBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O2/c1-4-14-7-6-13(3)19(14)16-12-17(20-10-11-21-17)9-8-15(16)18-5-2/h13-16,18H,4-12H2,1-3H3.
What are the key properties of N-ethyl-7-(2-ethyl-5-methylpyrrolidin-1-yl)-1,4-dioxaspiro[4.5]decan-8-amine?
N-ethyl-7-(2-ethyl-5-methylpyrrolidin-1-yl)-1,4-dioxaspiro[4.5]decan-8-amine has a molecular weight of 296.45 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-7-(2-ethyl-5-methylpyrrolidin-1-yl)-1,4-dioxaspiro[4.5]decan-8-amine is sourced from PubChem (CID 83219193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).