2-[5-azaspiro[2.4]heptan-7-yl(methyl)amino]ethanol

C9H18N2O — CID 91666789

IUPAC2-[5-azaspiro[2.4]heptan-7-yl(methyl)amino]ethanol
SMILESCN(CCO)C1CNCC12CC2
InChIInChI=1S/C9H18N2O/c1-11(4-5-12)8-6-10-7-9(8)2-3-9/h8,10,12H,2-7H2,1H3
InChIKeyWTLOQHPLNOPABA-UHFFFAOYSA-N
MW170.26 g/mol
LogP-0.34
Rot. Bonds3

About 2-[5-azaspiro[2.4]heptan-7-yl(methyl)amino]ethanol

2-[5-azaspiro[2.4]heptan-7-yl(methyl)amino]ethanol (PubChem CID 91666789) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 2-[5-azaspiro[2.4]heptan-7-yl(methyl)amino]ethanol.

Molecular Properties

Compound Name2-[5-azaspiro[2.4]heptan-7-yl(methyl)amino]ethanol
PubChem CID91666789
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name2-[5-azaspiro[2.4]heptan-7-yl(methyl)amino]ethanol
SMILESCN(CCO)C1CNCC12CC2
InChIInChI=1S/C9H18N2O/c1-11(4-5-12)8-6-10-7-9(8)2-3-9/h8,10,12H,2-7H2,1H3
InChIKeyWTLOQHPLNOPABA-UHFFFAOYSA-N
XLogP-0.34
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[5-azaspiro[2.4]heptan-7-yl(methyl)amino]ethanol?
The IUPAC name of 2-[5-azaspiro[2.4]heptan-7-yl(methyl)amino]ethanol (CID 91666789) is 2-[5-azaspiro[2.4]heptan-7-yl(methyl)amino]ethanol.
What is the SMILES notation for 2-[5-azaspiro[2.4]heptan-7-yl(methyl)amino]ethanol?
The canonical SMILES for 2-[5-azaspiro[2.4]heptan-7-yl(methyl)amino]ethanol is CN(CCO)C1CNCC12CC2.
What is the InChIKey of 2-[5-azaspiro[2.4]heptan-7-yl(methyl)amino]ethanol?
The InChIKey is WTLOQHPLNOPABA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-11(4-5-12)8-6-10-7-9(8)2-3-9/h8,10,12H,2-7H2,1H3.
What are the key properties of 2-[5-azaspiro[2.4]heptan-7-yl(methyl)amino]ethanol?
2-[5-azaspiro[2.4]heptan-7-yl(methyl)amino]ethanol has a molecular weight of 170.26 g/mol, XLogP of -0.34, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-azaspiro[2.4]heptan-7-yl(methyl)amino]ethanol is sourced from PubChem (CID 91666789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).