2-[(5S,8S)-8-amino-2-azaspiro[4.4]nonan-2-yl]ethanol

C10H20N2O — CID 98089074

IUPAC2-[(5S,8S)-8-amino-2-azaspiro[4.4]nonan-2-yl]ethanol
SMILESN[C@H]1CC[C@]2(CCN(CCO)C2)C1
InChIInChI=1S/C10H20N2O/c11-9-1-2-10(7-9)3-4-12(8-10)5-6-13/h9,13H,1-8,11H2/t9-,10-/m0/s1
InChIKeyKVVIHXCGYZQLDH-UWVGGRQHSA-N
MW184.28 g/mol
LogP0.18
Rot. Bonds2

About 2-[(5S,8S)-8-amino-2-azaspiro[4.4]nonan-2-yl]ethanol

2-[(5S,8S)-8-amino-2-azaspiro[4.4]nonan-2-yl]ethanol (PubChem CID 98089074) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 2-[(5S,8S)-8-amino-2-azaspiro[4.4]nonan-2-yl]ethanol.

Molecular Properties

Compound Name2-[(5S,8S)-8-amino-2-azaspiro[4.4]nonan-2-yl]ethanol
PubChem CID98089074
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name2-[(5S,8S)-8-amino-2-azaspiro[4.4]nonan-2-yl]ethanol
SMILESN[C@H]1CC[C@]2(CCN(CCO)C2)C1
InChIInChI=1S/C10H20N2O/c11-9-1-2-10(7-9)3-4-12(8-10)5-6-13/h9,13H,1-8,11H2/t9-,10-/m0/s1
InChIKeyKVVIHXCGYZQLDH-UWVGGRQHSA-N
XLogP0.18
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(5S,8S)-8-amino-2-azaspiro[4.4]nonan-2-yl]ethanol?
The IUPAC name of 2-[(5S,8S)-8-amino-2-azaspiro[4.4]nonan-2-yl]ethanol (CID 98089074) is 2-[(5S,8S)-8-amino-2-azaspiro[4.4]nonan-2-yl]ethanol.
What is the SMILES notation for 2-[(5S,8S)-8-amino-2-azaspiro[4.4]nonan-2-yl]ethanol?
The canonical SMILES for 2-[(5S,8S)-8-amino-2-azaspiro[4.4]nonan-2-yl]ethanol is N[C@H]1CC[C@]2(CCN(CCO)C2)C1.
What is the InChIKey of 2-[(5S,8S)-8-amino-2-azaspiro[4.4]nonan-2-yl]ethanol?
The InChIKey is KVVIHXCGYZQLDH-UWVGGRQHSA-N. The full InChI is InChI=1S/C10H20N2O/c11-9-1-2-10(7-9)3-4-12(8-10)5-6-13/h9,13H,1-8,11H2/t9-,10-/m0/s1.
What are the key properties of 2-[(5S,8S)-8-amino-2-azaspiro[4.4]nonan-2-yl]ethanol?
2-[(5S,8S)-8-amino-2-azaspiro[4.4]nonan-2-yl]ethanol has a molecular weight of 184.28 g/mol, XLogP of 0.18, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5S,8S)-8-amino-2-azaspiro[4.4]nonan-2-yl]ethanol is sourced from PubChem (CID 98089074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).