N-[(1S)-1-(furan-2-yl)ethyl]-8-oxaspiro[4.5]decan-4-amine

C15H23NO2 — CID 114244589

IUPACN-[(1S)-1-(furan-2-yl)ethyl]-8-oxaspiro[4.5]decan-4-amine
SMILESC[C@H](NC1CCCC12CCOCC2)c1ccco1
InChIInChI=1S/C15H23NO2/c1-12(13-4-3-9-18-13)16-14-5-2-6-15(14)7-10-17-11-8-15/h3-4,9,12,14,16H,2,5-8,10-11H2,1H3/t12-,14?/m0/s1
InChIKeyCKRFIFANSRWDCA-NBFOIZRFSA-N
MW249.35 g/mol
LogP3.28
Rot. Bonds3

About N-[(1S)-1-(furan-2-yl)ethyl]-8-oxaspiro[4.5]decan-4-amine

N-[(1S)-1-(furan-2-yl)ethyl]-8-oxaspiro[4.5]decan-4-amine (PubChem CID 114244589) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is N-[(1S)-1-(furan-2-yl)ethyl]-8-oxaspiro[4.5]decan-4-amine.

Molecular Properties

Compound NameN-[(1S)-1-(furan-2-yl)ethyl]-8-oxaspiro[4.5]decan-4-amine
PubChem CID114244589
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC NameN-[(1S)-1-(furan-2-yl)ethyl]-8-oxaspiro[4.5]decan-4-amine
SMILESC[C@H](NC1CCCC12CCOCC2)c1ccco1
InChIInChI=1S/C15H23NO2/c1-12(13-4-3-9-18-13)16-14-5-2-6-15(14)7-10-17-11-8-15/h3-4,9,12,14,16H,2,5-8,10-11H2,1H3/t12-,14?/m0/s1
InChIKeyCKRFIFANSRWDCA-NBFOIZRFSA-N
XLogP3.28
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(furan-2-yl)ethyl]-8-oxaspiro[4.5]decan-4-amine?
The IUPAC name of N-[(1S)-1-(furan-2-yl)ethyl]-8-oxaspiro[4.5]decan-4-amine (CID 114244589) is N-[(1S)-1-(furan-2-yl)ethyl]-8-oxaspiro[4.5]decan-4-amine.
What is the SMILES notation for N-[(1S)-1-(furan-2-yl)ethyl]-8-oxaspiro[4.5]decan-4-amine?
The canonical SMILES for N-[(1S)-1-(furan-2-yl)ethyl]-8-oxaspiro[4.5]decan-4-amine is C[C@H](NC1CCCC12CCOCC2)c1ccco1.
What is the InChIKey of N-[(1S)-1-(furan-2-yl)ethyl]-8-oxaspiro[4.5]decan-4-amine?
The InChIKey is CKRFIFANSRWDCA-NBFOIZRFSA-N. The full InChI is InChI=1S/C15H23NO2/c1-12(13-4-3-9-18-13)16-14-5-2-6-15(14)7-10-17-11-8-15/h3-4,9,12,14,16H,2,5-8,10-11H2,1H3/t12-,14?/m0/s1.
What are the key properties of N-[(1S)-1-(furan-2-yl)ethyl]-8-oxaspiro[4.5]decan-4-amine?
N-[(1S)-1-(furan-2-yl)ethyl]-8-oxaspiro[4.5]decan-4-amine has a molecular weight of 249.35 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(furan-2-yl)ethyl]-8-oxaspiro[4.5]decan-4-amine is sourced from PubChem (CID 114244589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).