1-(spiro[2.5]octan-7-ylamino)ethanol

C10H19NO — CID 163772268

IUPAC1-(spiro[2.5]octan-7-ylamino)ethanol
SMILESCC(O)NC1CCCC2(CC2)C1
InChIInChI=1S/C10H19NO/c1-8(12)11-9-3-2-4-10(7-9)5-6-10/h8-9,11-12H,2-7H2,1H3
InChIKeyMHLRJSIZRIPYQZ-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.64
Rot. Bonds2

About 1-(spiro[2.5]octan-7-ylamino)ethanol

1-(spiro[2.5]octan-7-ylamino)ethanol (PubChem CID 163772268) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 1-(spiro[2.5]octan-7-ylamino)ethanol.

Molecular Properties

Compound Name1-(spiro[2.5]octan-7-ylamino)ethanol
PubChem CID163772268
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name1-(spiro[2.5]octan-7-ylamino)ethanol
SMILESCC(O)NC1CCCC2(CC2)C1
InChIInChI=1S/C10H19NO/c1-8(12)11-9-3-2-4-10(7-9)5-6-10/h8-9,11-12H,2-7H2,1H3
InChIKeyMHLRJSIZRIPYQZ-UHFFFAOYSA-N
XLogP1.64
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(spiro[2.5]octan-7-ylamino)ethanol?
The IUPAC name of 1-(spiro[2.5]octan-7-ylamino)ethanol (CID 163772268) is 1-(spiro[2.5]octan-7-ylamino)ethanol.
What is the SMILES notation for 1-(spiro[2.5]octan-7-ylamino)ethanol?
The canonical SMILES for 1-(spiro[2.5]octan-7-ylamino)ethanol is CC(O)NC1CCCC2(CC2)C1.
What is the InChIKey of 1-(spiro[2.5]octan-7-ylamino)ethanol?
The InChIKey is MHLRJSIZRIPYQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-8(12)11-9-3-2-4-10(7-9)5-6-10/h8-9,11-12H,2-7H2,1H3.
What are the key properties of 1-(spiro[2.5]octan-7-ylamino)ethanol?
1-(spiro[2.5]octan-7-ylamino)ethanol has a molecular weight of 169.27 g/mol, XLogP of 1.64, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(spiro[2.5]octan-7-ylamino)ethanol is sourced from PubChem (CID 163772268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).