2-ethoxy-N-ethyl-1-(1-oxaspiro[5.5]undecan-4-yl)butan-1-amine

C18H35NO2 — CID 116716937

IUPAC2-ethoxy-N-ethyl-1-(1-oxaspiro[5.5]undecan-4-yl)butan-1-amine
SMILESCCNC(C1CCOC2(CCCCC2)C1)C(CC)OCC
InChIInChI=1S/C18H35NO2/c1-4-16(20-6-3)17(19-5-2)15-10-13-21-18(14-15)11-8-7-9-12-18/h15-17,19H,4-14H2,1-3H3
InChIKeyVCSWJUYPVFCYLR-UHFFFAOYSA-N
MW297.48 g/mol
LogP3.91
Rot. Bonds7

About 2-ethoxy-N-ethyl-1-(1-oxaspiro[5.5]undecan-4-yl)butan-1-amine

2-ethoxy-N-ethyl-1-(1-oxaspiro[5.5]undecan-4-yl)butan-1-amine (PubChem CID 116716937) has the molecular formula C18H35NO2 and a molecular weight of 297.48 g/mol. Its IUPAC name is 2-ethoxy-N-ethyl-1-(1-oxaspiro[5.5]undecan-4-yl)butan-1-amine.

Molecular Properties

Compound Name2-ethoxy-N-ethyl-1-(1-oxaspiro[5.5]undecan-4-yl)butan-1-amine
PubChem CID116716937
Molecular FormulaC18H35NO2
Molecular Weight297.48 g/mol
Exact Mass297.27
IUPAC Name2-ethoxy-N-ethyl-1-(1-oxaspiro[5.5]undecan-4-yl)butan-1-amine
SMILESCCNC(C1CCOC2(CCCCC2)C1)C(CC)OCC
InChIInChI=1S/C18H35NO2/c1-4-16(20-6-3)17(19-5-2)15-10-13-21-18(14-15)11-8-7-9-12-18/h15-17,19H,4-14H2,1-3H3
InChIKeyVCSWJUYPVFCYLR-UHFFFAOYSA-N
XLogP3.91
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
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

2-ethoxy-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-ol
CID 116711129
2-cyclopropyl-N-ethyl-1-(1-oxaspiro[5.5]undecan-4-yl)propan-1-amine
CID 105016192
2-ethoxy-N-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)butan-1-amine
CID 116716712
1-cycloheptyl-2-ethoxy-N-ethylbutan-1-amine
CID 116717006
N-ethyl-1-(6-oxaspiro[4.5]decan-9-yl)-2-propan-2-yloxyethanamine
CID 105170234
N-ethyl-2-[(2-methylpropan-2-yl)oxy]-1-(1-oxaspiro[5.5]undecan-4-yl)ethanamine
CID 105169801
N-ethyl-2-methoxy-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine
CID 79914184
N-ethyl-2,2,2-trifluoro-1-(1-oxaspiro[5.5]undecan-4-yl)ethanamine
CID 105016200
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
2-methoxy-1-(1-oxaspiro[5.5]undecan-4-yl)-N-propylpropan-1-amine
CID 79911899
2-ethoxy-N,3,3-trimethyl-1-(5-oxaspiro[3.5]nonan-8-yl)butan-1-amine
CID 116725429

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-ethyl-1-(1-oxaspiro[5.5]undecan-4-yl)butan-1-amine?
The IUPAC name of 2-ethoxy-N-ethyl-1-(1-oxaspiro[5.5]undecan-4-yl)butan-1-amine (CID 116716937) is 2-ethoxy-N-ethyl-1-(1-oxaspiro[5.5]undecan-4-yl)butan-1-amine.
What is the SMILES notation for 2-ethoxy-N-ethyl-1-(1-oxaspiro[5.5]undecan-4-yl)butan-1-amine?
The canonical SMILES for 2-ethoxy-N-ethyl-1-(1-oxaspiro[5.5]undecan-4-yl)butan-1-amine is CCNC(C1CCOC2(CCCCC2)C1)C(CC)OCC.
What is the InChIKey of 2-ethoxy-N-ethyl-1-(1-oxaspiro[5.5]undecan-4-yl)butan-1-amine?
The InChIKey is VCSWJUYPVFCYLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35NO2/c1-4-16(20-6-3)17(19-5-2)15-10-13-21-18(14-15)11-8-7-9-12-18/h15-17,19H,4-14H2,1-3H3.
What are the key properties of 2-ethoxy-N-ethyl-1-(1-oxaspiro[5.5]undecan-4-yl)butan-1-amine?
2-ethoxy-N-ethyl-1-(1-oxaspiro[5.5]undecan-4-yl)butan-1-amine has a molecular weight of 297.48 g/mol, XLogP of 3.91, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-ethyl-1-(1-oxaspiro[5.5]undecan-4-yl)butan-1-amine is sourced from PubChem (CID 116716937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).