N-[7-oxabicyclo[2.2.1]heptan-2-yl(6-oxaspiro[4.5]decan-9-yl)methyl]ethanamine

C18H31NO2 — CID 79909764

IUPACN-[7-oxabicyclo[2.2.1]heptan-2-yl(6-oxaspiro[4.5]decan-9-yl)methyl]ethanamine
SMILESCCNC(C1CCOC2(CCCC2)C1)C1CC2CCC1O2
InChIInChI=1S/C18H31NO2/c1-2-19-17(15-11-14-5-6-16(15)21-14)13-7-10-20-18(12-13)8-3-4-9-18/h13-17,19H,2-12H2,1H3
InChIKeyTZRYJVHRQNUBPG-UHFFFAOYSA-N
MW293.45 g/mol
LogP3.27
Rot. Bonds4

About N-[7-oxabicyclo[2.2.1]heptan-2-yl(6-oxaspiro[4.5]decan-9-yl)methyl]ethanamine

N-[7-oxabicyclo[2.2.1]heptan-2-yl(6-oxaspiro[4.5]decan-9-yl)methyl]ethanamine (PubChem CID 79909764) has the molecular formula C18H31NO2 and a molecular weight of 293.45 g/mol. Its IUPAC name is N-[7-oxabicyclo[2.2.1]heptan-2-yl(6-oxaspiro[4.5]decan-9-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[7-oxabicyclo[2.2.1]heptan-2-yl(6-oxaspiro[4.5]decan-9-yl)methyl]ethanamine
PubChem CID79909764
Molecular FormulaC18H31NO2
Molecular Weight293.45 g/mol
Exact Mass293.24
IUPAC NameN-[7-oxabicyclo[2.2.1]heptan-2-yl(6-oxaspiro[4.5]decan-9-yl)methyl]ethanamine
SMILESCCNC(C1CCOC2(CCCC2)C1)C1CC2CCC1O2
InChIInChI=1S/C18H31NO2/c1-2-19-17(15-11-14-5-6-16(15)21-14)13-7-10-20-18(12-13)8-3-4-9-18/h13-17,19H,2-12H2,1H3
InChIKeyTZRYJVHRQNUBPG-UHFFFAOYSA-N
XLogP3.27
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[7-oxabicyclo[2.2.1]heptan-2-yl(6-oxaspiro[4.5]decan-9-yl)methyl]ethanamine with MolForge

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Related Compounds

N-[7-bicyclo[4.1.0]heptanyl(6-oxaspiro[4.5]decan-9-yl)methyl]ethanamine
CID 105016661
N-[(5-methyloxolan-2-yl)-(1-oxaspiro[5.5]undecan-4-yl)methyl]ethanamine
CID 105016221
N-[6-oxaspiro[4.5]decan-9-yl(thiolan-2-yl)methyl]ethanamine
CID 80627742
N-[1,4-dioxan-2-yl(6-oxaspiro[4.5]decan-9-yl)methyl]ethanamine
CID 115824809
N-[(2-methylcyclopropyl)-(5-oxaspiro[3.5]nonan-8-yl)methyl]propan-1-amine
CID 79911700
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
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-[furan-2-yl(1-oxaspiro[5.5]undecan-4-yl)methyl]ethanamine
CID 79914001
N-ethyl-2-ethylsulfanyl-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine
CID 79911321
N-ethyl-2,2,2-trifluoro-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine
CID 105016756

Frequently Asked Questions

What is the IUPAC name of N-[7-oxabicyclo[2.2.1]heptan-2-yl(6-oxaspiro[4.5]decan-9-yl)methyl]ethanamine?
The IUPAC name of N-[7-oxabicyclo[2.2.1]heptan-2-yl(6-oxaspiro[4.5]decan-9-yl)methyl]ethanamine (CID 79909764) is N-[7-oxabicyclo[2.2.1]heptan-2-yl(6-oxaspiro[4.5]decan-9-yl)methyl]ethanamine.
What is the SMILES notation for N-[7-oxabicyclo[2.2.1]heptan-2-yl(6-oxaspiro[4.5]decan-9-yl)methyl]ethanamine?
The canonical SMILES for N-[7-oxabicyclo[2.2.1]heptan-2-yl(6-oxaspiro[4.5]decan-9-yl)methyl]ethanamine is CCNC(C1CCOC2(CCCC2)C1)C1CC2CCC1O2.
What is the InChIKey of N-[7-oxabicyclo[2.2.1]heptan-2-yl(6-oxaspiro[4.5]decan-9-yl)methyl]ethanamine?
The InChIKey is TZRYJVHRQNUBPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO2/c1-2-19-17(15-11-14-5-6-16(15)21-14)13-7-10-20-18(12-13)8-3-4-9-18/h13-17,19H,2-12H2,1H3.
What are the key properties of N-[7-oxabicyclo[2.2.1]heptan-2-yl(6-oxaspiro[4.5]decan-9-yl)methyl]ethanamine?
N-[7-oxabicyclo[2.2.1]heptan-2-yl(6-oxaspiro[4.5]decan-9-yl)methyl]ethanamine has a molecular weight of 293.45 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-oxabicyclo[2.2.1]heptan-2-yl(6-oxaspiro[4.5]decan-9-yl)methyl]ethanamine is sourced from PubChem (CID 79909764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).