N-ethyl-2-[(2-methylpropan-2-yl)oxy]-1-(1-oxaspiro[5.5]undecan-4-yl)ethanamine

C18H35NO2 — CID 105169801

IUPACN-ethyl-2-[(2-methylpropan-2-yl)oxy]-1-(1-oxaspiro[5.5]undecan-4-yl)ethanamine
SMILESCCNC(COC(C)(C)C)C1CCOC2(CCCCC2)C1
InChIInChI=1S/C18H35NO2/c1-5-19-16(14-21-17(2,3)4)15-9-12-20-18(13-15)10-7-6-8-11-18/h15-16,19H,5-14H2,1-4H3
InChIKeyOPRGWHWIOLVPKL-UHFFFAOYSA-N
MW297.48 g/mol
LogP3.91
Rot. Bonds5

About N-ethyl-2-[(2-methylpropan-2-yl)oxy]-1-(1-oxaspiro[5.5]undecan-4-yl)ethanamine

N-ethyl-2-[(2-methylpropan-2-yl)oxy]-1-(1-oxaspiro[5.5]undecan-4-yl)ethanamine (PubChem CID 105169801) has the molecular formula C18H35NO2 and a molecular weight of 297.48 g/mol. Its IUPAC name is N-ethyl-2-[(2-methylpropan-2-yl)oxy]-1-(1-oxaspiro[5.5]undecan-4-yl)ethanamine.

Molecular Properties

Compound NameN-ethyl-2-[(2-methylpropan-2-yl)oxy]-1-(1-oxaspiro[5.5]undecan-4-yl)ethanamine
PubChem CID105169801
Molecular FormulaC18H35NO2
Molecular Weight297.48 g/mol
Exact Mass297.27
IUPAC NameN-ethyl-2-[(2-methylpropan-2-yl)oxy]-1-(1-oxaspiro[5.5]undecan-4-yl)ethanamine
SMILESCCNC(COC(C)(C)C)C1CCOC2(CCCCC2)C1
InChIInChI=1S/C18H35NO2/c1-5-19-16(14-21-17(2,3)4)15-9-12-20-18(13-15)10-7-6-8-11-18/h15-16,19H,5-14H2,1-4H3
InChIKeyOPRGWHWIOLVPKL-UHFFFAOYSA-N
XLogP3.91
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.48
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-ethyl-2-[(2-methylpropan-2-yl)oxy]ethanamine
CID 105170268
N-ethyl-1-(6-oxaspiro[4.5]decan-9-yl)-2-propan-2-yloxyethanamine
CID 105170234
N-ethyl-2-methoxy-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine
CID 79914184
2-cyclopentyl-N-ethyl-1-(1-oxaspiro[5.5]undecan-4-yl)ethanamine
CID 105016179
N-ethyl-3-methoxy-1-(1-oxaspiro[5.5]undecan-4-yl)propan-1-amine
CID 79914734
N-ethyl-2-ethylsulfanyl-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine
CID 79911321
N-ethyl-4-methoxy-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-amine
CID 79911149
N-ethyl-3-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)butan-1-amine
CID 79914798
N-ethyl-4,4,4-trifluoro-1-(5-oxaspiro[3.5]nonan-8-yl)butan-1-amine
CID 79952767
2-cyclopentylsulfanyl-N-ethyl-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine
CID 79910261
N-ethyl-2-methylsulfonyl-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine
CID 105016797
N-ethyl-2,2,2-trifluoro-1-(1-oxaspiro[5.5]undecan-4-yl)ethanamine
CID 105016200

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(2-methylpropan-2-yl)oxy]-1-(1-oxaspiro[5.5]undecan-4-yl)ethanamine?
The IUPAC name of N-ethyl-2-[(2-methylpropan-2-yl)oxy]-1-(1-oxaspiro[5.5]undecan-4-yl)ethanamine (CID 105169801) is N-ethyl-2-[(2-methylpropan-2-yl)oxy]-1-(1-oxaspiro[5.5]undecan-4-yl)ethanamine.
What is the SMILES notation for N-ethyl-2-[(2-methylpropan-2-yl)oxy]-1-(1-oxaspiro[5.5]undecan-4-yl)ethanamine?
The canonical SMILES for N-ethyl-2-[(2-methylpropan-2-yl)oxy]-1-(1-oxaspiro[5.5]undecan-4-yl)ethanamine is CCNC(COC(C)(C)C)C1CCOC2(CCCCC2)C1.
What is the InChIKey of N-ethyl-2-[(2-methylpropan-2-yl)oxy]-1-(1-oxaspiro[5.5]undecan-4-yl)ethanamine?
The InChIKey is OPRGWHWIOLVPKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35NO2/c1-5-19-16(14-21-17(2,3)4)15-9-12-20-18(13-15)10-7-6-8-11-18/h15-16,19H,5-14H2,1-4H3.
What are the key properties of N-ethyl-2-[(2-methylpropan-2-yl)oxy]-1-(1-oxaspiro[5.5]undecan-4-yl)ethanamine?
N-ethyl-2-[(2-methylpropan-2-yl)oxy]-1-(1-oxaspiro[5.5]undecan-4-yl)ethanamine has a molecular weight of 297.48 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(2-methylpropan-2-yl)oxy]-1-(1-oxaspiro[5.5]undecan-4-yl)ethanamine is sourced from PubChem (CID 105169801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).