N-[(5-methyloxolan-2-yl)-(1-oxaspiro[5.5]undecan-4-yl)methyl]ethanamine

C18H33NO2 — CID 105016221

IUPACN-[(5-methyloxolan-2-yl)-(1-oxaspiro[5.5]undecan-4-yl)methyl]ethanamine
SMILESCCNC(C1CCOC2(CCCCC2)C1)C1CCC(C)O1
InChIInChI=1S/C18H33NO2/c1-3-19-17(16-8-7-14(2)21-16)15-9-12-20-18(13-15)10-5-4-6-11-18/h14-17,19H,3-13H2,1-2H3
InChIKeyUVOQAIUOJNJAJH-UHFFFAOYSA-N
MW295.47 g/mol
LogP3.66
Rot. Bonds4

About N-[(5-methyloxolan-2-yl)-(1-oxaspiro[5.5]undecan-4-yl)methyl]ethanamine

N-[(5-methyloxolan-2-yl)-(1-oxaspiro[5.5]undecan-4-yl)methyl]ethanamine (PubChem CID 105016221) has the molecular formula C18H33NO2 and a molecular weight of 295.47 g/mol. Its IUPAC name is N-[(5-methyloxolan-2-yl)-(1-oxaspiro[5.5]undecan-4-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(5-methyloxolan-2-yl)-(1-oxaspiro[5.5]undecan-4-yl)methyl]ethanamine
PubChem CID105016221
Molecular FormulaC18H33NO2
Molecular Weight295.47 g/mol
Exact Mass295.25
IUPAC NameN-[(5-methyloxolan-2-yl)-(1-oxaspiro[5.5]undecan-4-yl)methyl]ethanamine
SMILESCCNC(C1CCOC2(CCCCC2)C1)C1CCC(C)O1
InChIInChI=1S/C18H33NO2/c1-3-19-17(16-8-7-14(2)21-16)15-9-12-20-18(13-15)10-5-4-6-11-18/h14-17,19H,3-13H2,1-2H3
InChIKeyUVOQAIUOJNJAJH-UHFFFAOYSA-N
XLogP3.66
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(5-methyloxolan-2-yl)-(1-oxaspiro[5.5]undecan-4-yl)methyl]ethanamine with MolForge

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Related Compounds

N-[1,4-dioxan-2-yl(6-oxaspiro[4.5]decan-9-yl)methyl]ethanamine
CID 115824809
N-[7-bicyclo[4.1.0]heptanyl(6-oxaspiro[4.5]decan-9-yl)methyl]ethanamine
CID 105016661
N-[7-oxabicyclo[2.2.1]heptan-2-yl(6-oxaspiro[4.5]decan-9-yl)methyl]ethanamine
CID 79909764
2-cyclopropyl-N-ethyl-1-(1-oxaspiro[5.5]undecan-4-yl)propan-1-amine
CID 105016192
2-cyclopentyl-N-ethyl-1-(1-oxaspiro[5.5]undecan-4-yl)ethanamine
CID 105016179
N-[cyclohexyl(6-oxaspiro[4.5]decan-9-yl)methyl]propan-1-amine
CID 79907861
N-[6-oxaspiro[4.5]decan-9-yl(thiolan-2-yl)methyl]ethanamine
CID 80627742
N-[(3-methyl-1,4-dithian-2-yl)-(6-oxaspiro[4.5]decan-9-yl)methyl]ethanamine
CID 115387067
N-[6-oxaspiro[4.5]decan-9-yl(thian-2-yl)methyl]ethanamine
CID 80626187
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
N-[oxan-4-yl(6-oxaspiro[4.5]decan-9-yl)methyl]propan-1-amine
CID 79910518

Frequently Asked Questions

What is the IUPAC name of N-[(5-methyloxolan-2-yl)-(1-oxaspiro[5.5]undecan-4-yl)methyl]ethanamine?
The IUPAC name of N-[(5-methyloxolan-2-yl)-(1-oxaspiro[5.5]undecan-4-yl)methyl]ethanamine (CID 105016221) is N-[(5-methyloxolan-2-yl)-(1-oxaspiro[5.5]undecan-4-yl)methyl]ethanamine.
What is the SMILES notation for N-[(5-methyloxolan-2-yl)-(1-oxaspiro[5.5]undecan-4-yl)methyl]ethanamine?
The canonical SMILES for N-[(5-methyloxolan-2-yl)-(1-oxaspiro[5.5]undecan-4-yl)methyl]ethanamine is CCNC(C1CCOC2(CCCCC2)C1)C1CCC(C)O1.
What is the InChIKey of N-[(5-methyloxolan-2-yl)-(1-oxaspiro[5.5]undecan-4-yl)methyl]ethanamine?
The InChIKey is UVOQAIUOJNJAJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33NO2/c1-3-19-17(16-8-7-14(2)21-16)15-9-12-20-18(13-15)10-5-4-6-11-18/h14-17,19H,3-13H2,1-2H3.
What are the key properties of N-[(5-methyloxolan-2-yl)-(1-oxaspiro[5.5]undecan-4-yl)methyl]ethanamine?
N-[(5-methyloxolan-2-yl)-(1-oxaspiro[5.5]undecan-4-yl)methyl]ethanamine has a molecular weight of 295.47 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyloxolan-2-yl)-(1-oxaspiro[5.5]undecan-4-yl)methyl]ethanamine is sourced from PubChem (CID 105016221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).