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

C16H25NO2 — CID 79894899

IUPACN-[1-(furan-2-yl)ethyl]-1-oxaspiro[5.5]undecan-4-amine
SMILESCC(NC1CCOC2(CCCCC2)C1)c1ccco1
InChIInChI=1S/C16H25NO2/c1-13(15-6-5-10-18-15)17-14-7-11-19-16(12-14)8-3-2-4-9-16/h5-6,10,13-14,17H,2-4,7-9,11-12H2,1H3
InChIKeyUTNRONCGNYLKJD-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.81
Rot. Bonds3

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

N-[1-(furan-2-yl)ethyl]-1-oxaspiro[5.5]undecan-4-amine (PubChem CID 79894899) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is N-[1-(furan-2-yl)ethyl]-1-oxaspiro[5.5]undecan-4-amine.

Molecular Properties

Compound NameN-[1-(furan-2-yl)ethyl]-1-oxaspiro[5.5]undecan-4-amine
PubChem CID79894899
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC NameN-[1-(furan-2-yl)ethyl]-1-oxaspiro[5.5]undecan-4-amine
SMILESCC(NC1CCOC2(CCCCC2)C1)c1ccco1
InChIInChI=1S/C16H25NO2/c1-13(15-6-5-10-18-15)17-14-7-11-19-16(12-14)8-3-2-4-9-16/h5-6,10,13-14,17H,2-4,7-9,11-12H2,1H3
InChIKeyUTNRONCGNYLKJD-UHFFFAOYSA-N
XLogP3.81
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-1-(furan-2-yl)ethyl]-5-oxaspiro[3.5]nonan-8-amine
CID 81399877
N-[1-(furan-2-yl)ethyl]-1-oxa-9-thiaspiro[5.5]undecan-4-amine
CID 79894827
N-[1-(furan-2-yl)ethyl]-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 79895765
N-[(1S)-1-(furan-2-yl)ethyl]-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 81400625
N-[(1R)-1-(furan-2-yl)ethyl]-2,2-dimethyloxan-4-amine
CID 81403572
N-[4-(furan-2-yl)butan-2-yl]-1-oxaspiro[5.5]undecan-4-amine
CID 79899013
N-[1-(furan-2-yl)ethyl]spiro[4.5]decan-8-amine
CID 114817252
N-[(1R)-1-(furan-2-yl)ethyl]oxetan-3-amine
CID 81403066
N-[(1S)-1-(4-fluorophenyl)ethyl]-5-oxaspiro[3.5]nonan-8-amine
CID 81348055
N-[1-(4-fluorophenyl)ethyl]-5-oxaspiro[3.5]nonan-8-amine
CID 79895662
N-[(1R)-1-(4-bromophenyl)ethyl]-5-oxaspiro[3.5]nonan-8-amine
CID 81360031
N-[(1S)-1-(furan-2-yl)ethyl]oxan-3-amine
CID 81402561

Frequently Asked Questions

What is the IUPAC name of N-[1-(furan-2-yl)ethyl]-1-oxaspiro[5.5]undecan-4-amine?
The IUPAC name of N-[1-(furan-2-yl)ethyl]-1-oxaspiro[5.5]undecan-4-amine (CID 79894899) is N-[1-(furan-2-yl)ethyl]-1-oxaspiro[5.5]undecan-4-amine.
What is the SMILES notation for N-[1-(furan-2-yl)ethyl]-1-oxaspiro[5.5]undecan-4-amine?
The canonical SMILES for N-[1-(furan-2-yl)ethyl]-1-oxaspiro[5.5]undecan-4-amine is CC(NC1CCOC2(CCCCC2)C1)c1ccco1.
What is the InChIKey of N-[1-(furan-2-yl)ethyl]-1-oxaspiro[5.5]undecan-4-amine?
The InChIKey is UTNRONCGNYLKJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-13(15-6-5-10-18-15)17-14-7-11-19-16(12-14)8-3-2-4-9-16/h5-6,10,13-14,17H,2-4,7-9,11-12H2,1H3.
What are the key properties of N-[1-(furan-2-yl)ethyl]-1-oxaspiro[5.5]undecan-4-amine?
N-[1-(furan-2-yl)ethyl]-1-oxaspiro[5.5]undecan-4-amine has a molecular weight of 263.38 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(furan-2-yl)ethyl]-1-oxaspiro[5.5]undecan-4-amine is sourced from PubChem (CID 79894899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).