N-[(1S)-1-(furan-2-yl)ethyl]-5-oxaspiro[3.5]nonan-8-amine

C14H21NO2 — CID 81399877

IUPACN-[(1S)-1-(furan-2-yl)ethyl]-5-oxaspiro[3.5]nonan-8-amine
SMILESC[C@H](NC1CCOC2(CCC2)C1)c1ccco1
InChIInChI=1S/C14H21NO2/c1-11(13-4-2-8-16-13)15-12-5-9-17-14(10-12)6-3-7-14/h2,4,8,11-12,15H,3,5-7,9-10H2,1H3/t11-,12?/m0/s1
InChIKeyKCTFVUAXPVLBQM-PXYINDEMSA-N
MW235.33 g/mol
LogP3.03
Rot. Bonds3

About N-[(1S)-1-(furan-2-yl)ethyl]-5-oxaspiro[3.5]nonan-8-amine

N-[(1S)-1-(furan-2-yl)ethyl]-5-oxaspiro[3.5]nonan-8-amine (PubChem CID 81399877) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is N-[(1S)-1-(furan-2-yl)ethyl]-5-oxaspiro[3.5]nonan-8-amine.

Molecular Properties

Compound NameN-[(1S)-1-(furan-2-yl)ethyl]-5-oxaspiro[3.5]nonan-8-amine
PubChem CID81399877
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC NameN-[(1S)-1-(furan-2-yl)ethyl]-5-oxaspiro[3.5]nonan-8-amine
SMILESC[C@H](NC1CCOC2(CCC2)C1)c1ccco1
InChIInChI=1S/C14H21NO2/c1-11(13-4-2-8-16-13)15-12-5-9-17-14(10-12)6-3-7-14/h2,4,8,11-12,15H,3,5-7,9-10H2,1H3/t11-,12?/m0/s1
InChIKeyKCTFVUAXPVLBQM-PXYINDEMSA-N
XLogP3.03
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 53.03
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]-5-oxaspiro[3.5]nonan-8-amine?
The IUPAC name of N-[(1S)-1-(furan-2-yl)ethyl]-5-oxaspiro[3.5]nonan-8-amine (CID 81399877) is N-[(1S)-1-(furan-2-yl)ethyl]-5-oxaspiro[3.5]nonan-8-amine.
What is the SMILES notation for N-[(1S)-1-(furan-2-yl)ethyl]-5-oxaspiro[3.5]nonan-8-amine?
The canonical SMILES for N-[(1S)-1-(furan-2-yl)ethyl]-5-oxaspiro[3.5]nonan-8-amine is C[C@H](NC1CCOC2(CCC2)C1)c1ccco1.
What is the InChIKey of N-[(1S)-1-(furan-2-yl)ethyl]-5-oxaspiro[3.5]nonan-8-amine?
The InChIKey is KCTFVUAXPVLBQM-PXYINDEMSA-N. The full InChI is InChI=1S/C14H21NO2/c1-11(13-4-2-8-16-13)15-12-5-9-17-14(10-12)6-3-7-14/h2,4,8,11-12,15H,3,5-7,9-10H2,1H3/t11-,12?/m0/s1.
What are the key properties of N-[(1S)-1-(furan-2-yl)ethyl]-5-oxaspiro[3.5]nonan-8-amine?
N-[(1S)-1-(furan-2-yl)ethyl]-5-oxaspiro[3.5]nonan-8-amine has a molecular weight of 235.33 g/mol, XLogP of 3.03, 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]-5-oxaspiro[3.5]nonan-8-amine is sourced from PubChem (CID 81399877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).