(2S)-2-(2-azaspiro[3.5]nonan-2-yl)propan-1-ol

C11H21NO — CID 104550126

IUPAC(2S)-2-(2-azaspiro[3.5]nonan-2-yl)propan-1-ol
SMILESC[C@@H](CO)N1CC2(CCCCC2)C1
InChIInChI=1S/C11H21NO/c1-10(7-13)12-8-11(9-12)5-3-2-4-6-11/h10,13H,2-9H2,1H3/t10-/m0/s1
InChIKeyJGGGGLSNZQPXTO-JTQLQIEISA-N
MW183.29 g/mol
LogP1.63
Rot. Bonds2

About (2S)-2-(2-azaspiro[3.5]nonan-2-yl)propan-1-ol

(2S)-2-(2-azaspiro[3.5]nonan-2-yl)propan-1-ol (PubChem CID 104550126) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is (2S)-2-(2-azaspiro[3.5]nonan-2-yl)propan-1-ol.

Molecular Properties

Compound Name(2S)-2-(2-azaspiro[3.5]nonan-2-yl)propan-1-ol
PubChem CID104550126
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name(2S)-2-(2-azaspiro[3.5]nonan-2-yl)propan-1-ol
SMILESC[C@@H](CO)N1CC2(CCCCC2)C1
InChIInChI=1S/C11H21NO/c1-10(7-13)12-8-11(9-12)5-3-2-4-6-11/h10,13H,2-9H2,1H3/t10-/m0/s1
InChIKeyJGGGGLSNZQPXTO-JTQLQIEISA-N
XLogP1.63
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-azaspiro[3.5]nonan-2-yl)propan-1-ol?
The IUPAC name of (2S)-2-(2-azaspiro[3.5]nonan-2-yl)propan-1-ol (CID 104550126) is (2S)-2-(2-azaspiro[3.5]nonan-2-yl)propan-1-ol.
What is the SMILES notation for (2S)-2-(2-azaspiro[3.5]nonan-2-yl)propan-1-ol?
The canonical SMILES for (2S)-2-(2-azaspiro[3.5]nonan-2-yl)propan-1-ol is C[C@@H](CO)N1CC2(CCCCC2)C1.
What is the InChIKey of (2S)-2-(2-azaspiro[3.5]nonan-2-yl)propan-1-ol?
The InChIKey is JGGGGLSNZQPXTO-JTQLQIEISA-N. The full InChI is InChI=1S/C11H21NO/c1-10(7-13)12-8-11(9-12)5-3-2-4-6-11/h10,13H,2-9H2,1H3/t10-/m0/s1.
What are the key properties of (2S)-2-(2-azaspiro[3.5]nonan-2-yl)propan-1-ol?
(2S)-2-(2-azaspiro[3.5]nonan-2-yl)propan-1-ol has a molecular weight of 183.29 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-azaspiro[3.5]nonan-2-yl)propan-1-ol is sourced from PubChem (CID 104550126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).