1-(2-amino-6-azaspiro[2.5]octan-6-yl)prop-2-en-1-ol

C10H18N2O — CID 135255484

IUPAC1-(2-amino-6-azaspiro[2.5]octan-6-yl)prop-2-en-1-ol
SMILESC=CC(O)N1CCC2(CC1)CC2N
InChIInChI=1S/C10H18N2O/c1-2-9(13)12-5-3-10(4-6-12)7-8(10)11/h2,8-9,13H,1,3-7,11H2
InChIKeyWIEQCRKQWJQVOK-UHFFFAOYSA-N
MW182.27 g/mol
LogP0.30
Rot. Bonds2

About 1-(2-amino-6-azaspiro[2.5]octan-6-yl)prop-2-en-1-ol

1-(2-amino-6-azaspiro[2.5]octan-6-yl)prop-2-en-1-ol (PubChem CID 135255484) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 1-(2-amino-6-azaspiro[2.5]octan-6-yl)prop-2-en-1-ol.

Molecular Properties

Compound Name1-(2-amino-6-azaspiro[2.5]octan-6-yl)prop-2-en-1-ol
PubChem CID135255484
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name1-(2-amino-6-azaspiro[2.5]octan-6-yl)prop-2-en-1-ol
SMILESC=CC(O)N1CCC2(CC1)CC2N
InChIInChI=1S/C10H18N2O/c1-2-9(13)12-5-3-10(4-6-12)7-8(10)11/h2,8-9,13H,1,3-7,11H2
InChIKeyWIEQCRKQWJQVOK-UHFFFAOYSA-N
XLogP0.30
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-6-azaspiro[2.5]octan-6-yl)prop-2-en-1-ol?
The IUPAC name of 1-(2-amino-6-azaspiro[2.5]octan-6-yl)prop-2-en-1-ol (CID 135255484) is 1-(2-amino-6-azaspiro[2.5]octan-6-yl)prop-2-en-1-ol.
What is the SMILES notation for 1-(2-amino-6-azaspiro[2.5]octan-6-yl)prop-2-en-1-ol?
The canonical SMILES for 1-(2-amino-6-azaspiro[2.5]octan-6-yl)prop-2-en-1-ol is C=CC(O)N1CCC2(CC1)CC2N.
What is the InChIKey of 1-(2-amino-6-azaspiro[2.5]octan-6-yl)prop-2-en-1-ol?
The InChIKey is WIEQCRKQWJQVOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-2-9(13)12-5-3-10(4-6-12)7-8(10)11/h2,8-9,13H,1,3-7,11H2.
What are the key properties of 1-(2-amino-6-azaspiro[2.5]octan-6-yl)prop-2-en-1-ol?
1-(2-amino-6-azaspiro[2.5]octan-6-yl)prop-2-en-1-ol has a molecular weight of 182.27 g/mol, XLogP of 0.30, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-6-azaspiro[2.5]octan-6-yl)prop-2-en-1-ol is sourced from PubChem (CID 135255484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).