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

C12H23NO — CID 107861571

IUPAC(2S)-2-(2-azaspiro[3.5]nonan-2-yl)butan-1-ol
SMILESCC[C@@H](CO)N1CC2(CCCCC2)C1
InChIInChI=1S/C12H23NO/c1-2-11(8-14)13-9-12(10-13)6-4-3-5-7-12/h11,14H,2-10H2,1H3/t11-/m0/s1
InChIKeyDENMRYZIPZGSTH-NSHDSACASA-N
MW197.32 g/mol
LogP2.02
Rot. Bonds3

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

(2S)-2-(2-azaspiro[3.5]nonan-2-yl)butan-1-ol (PubChem CID 107861571) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is (2S)-2-(2-azaspiro[3.5]nonan-2-yl)butan-1-ol.

Molecular Properties

Compound Name(2S)-2-(2-azaspiro[3.5]nonan-2-yl)butan-1-ol
PubChem CID107861571
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name(2S)-2-(2-azaspiro[3.5]nonan-2-yl)butan-1-ol
SMILESCC[C@@H](CO)N1CC2(CCCCC2)C1
InChIInChI=1S/C12H23NO/c1-2-11(8-14)13-9-12(10-13)6-4-3-5-7-12/h11,14H,2-10H2,1H3/t11-/m0/s1
InChIKeyDENMRYZIPZGSTH-NSHDSACASA-N
XLogP2.02
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.02
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)butan-1-ol?
The IUPAC name of (2S)-2-(2-azaspiro[3.5]nonan-2-yl)butan-1-ol (CID 107861571) is (2S)-2-(2-azaspiro[3.5]nonan-2-yl)butan-1-ol.
What is the SMILES notation for (2S)-2-(2-azaspiro[3.5]nonan-2-yl)butan-1-ol?
The canonical SMILES for (2S)-2-(2-azaspiro[3.5]nonan-2-yl)butan-1-ol is CC[C@@H](CO)N1CC2(CCCCC2)C1.
What is the InChIKey of (2S)-2-(2-azaspiro[3.5]nonan-2-yl)butan-1-ol?
The InChIKey is DENMRYZIPZGSTH-NSHDSACASA-N. The full InChI is InChI=1S/C12H23NO/c1-2-11(8-14)13-9-12(10-13)6-4-3-5-7-12/h11,14H,2-10H2,1H3/t11-/m0/s1.
What are the key properties of (2S)-2-(2-azaspiro[3.5]nonan-2-yl)butan-1-ol?
(2S)-2-(2-azaspiro[3.5]nonan-2-yl)butan-1-ol has a molecular weight of 197.32 g/mol, XLogP of 2.02, 3 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)butan-1-ol is sourced from PubChem (CID 107861571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).