(1S,3S)-1-(propan-2-ylamino)-7-oxaspiro[3.5]nonan-3-ol

C11H21NO2 — CID 146534910

IUPAC(1S,3S)-1-(propan-2-ylamino)-7-oxaspiro[3.5]nonan-3-ol
SMILESCC(C)N[C@H]1C[C@H](O)C12CCOCC2
InChIInChI=1S/C11H21NO2/c1-8(2)12-9-7-10(13)11(9)3-5-14-6-4-11/h8-10,12-13H,3-7H2,1-2H3/t9-,10-/m0/s1
InChIKeyKVZQBIGTLYARRB-UWVGGRQHSA-N
MW199.29 g/mol
LogP0.91
Rot. Bonds2

About (1S,3S)-1-(propan-2-ylamino)-7-oxaspiro[3.5]nonan-3-ol

(1S,3S)-1-(propan-2-ylamino)-7-oxaspiro[3.5]nonan-3-ol (PubChem CID 146534910) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is (1S,3S)-1-(propan-2-ylamino)-7-oxaspiro[3.5]nonan-3-ol.

Molecular Properties

Compound Name(1S,3S)-1-(propan-2-ylamino)-7-oxaspiro[3.5]nonan-3-ol
PubChem CID146534910
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name(1S,3S)-1-(propan-2-ylamino)-7-oxaspiro[3.5]nonan-3-ol
SMILESCC(C)N[C@H]1C[C@H](O)C12CCOCC2
InChIInChI=1S/C11H21NO2/c1-8(2)12-9-7-10(13)11(9)3-5-14-6-4-11/h8-10,12-13H,3-7H2,1-2H3/t9-,10-/m0/s1
InChIKeyKVZQBIGTLYARRB-UWVGGRQHSA-N
XLogP0.91
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S,3S)-1-(propan-2-ylamino)-7-oxaspiro[3.5]nonan-3-ol?
The IUPAC name of (1S,3S)-1-(propan-2-ylamino)-7-oxaspiro[3.5]nonan-3-ol (CID 146534910) is (1S,3S)-1-(propan-2-ylamino)-7-oxaspiro[3.5]nonan-3-ol.
What is the SMILES notation for (1S,3S)-1-(propan-2-ylamino)-7-oxaspiro[3.5]nonan-3-ol?
The canonical SMILES for (1S,3S)-1-(propan-2-ylamino)-7-oxaspiro[3.5]nonan-3-ol is CC(C)N[C@H]1C[C@H](O)C12CCOCC2.
What is the InChIKey of (1S,3S)-1-(propan-2-ylamino)-7-oxaspiro[3.5]nonan-3-ol?
The InChIKey is KVZQBIGTLYARRB-UWVGGRQHSA-N. The full InChI is InChI=1S/C11H21NO2/c1-8(2)12-9-7-10(13)11(9)3-5-14-6-4-11/h8-10,12-13H,3-7H2,1-2H3/t9-,10-/m0/s1.
What are the key properties of (1S,3S)-1-(propan-2-ylamino)-7-oxaspiro[3.5]nonan-3-ol?
(1S,3S)-1-(propan-2-ylamino)-7-oxaspiro[3.5]nonan-3-ol has a molecular weight of 199.29 g/mol, XLogP of 0.91, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3S)-1-(propan-2-ylamino)-7-oxaspiro[3.5]nonan-3-ol is sourced from PubChem (CID 146534910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).