(3S)-4-[2,2-dimethylpropyl(methyl)amino]oxolan-3-ol

C10H21NO2 — CID 126988278

IUPAC(3S)-4-[2,2-dimethylpropyl(methyl)amino]oxolan-3-ol
SMILESCN(CC(C)(C)C)C1COC[C@H]1O
InChIInChI=1S/C10H21NO2/c1-10(2,3)7-11(4)8-5-13-6-9(8)12/h8-9,12H,5-7H2,1-4H3/t8?,9-/m1/s1
InChIKeyRIQMYMKUFDUGSG-YGPZHTELSA-N
MW187.28 g/mol
LogP0.72
Rot. Bonds2

About (3S)-4-[2,2-dimethylpropyl(methyl)amino]oxolan-3-ol

(3S)-4-[2,2-dimethylpropyl(methyl)amino]oxolan-3-ol (PubChem CID 126988278) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is (3S)-4-[2,2-dimethylpropyl(methyl)amino]oxolan-3-ol.

Molecular Properties

Compound Name(3S)-4-[2,2-dimethylpropyl(methyl)amino]oxolan-3-ol
PubChem CID126988278
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name(3S)-4-[2,2-dimethylpropyl(methyl)amino]oxolan-3-ol
SMILESCN(CC(C)(C)C)C1COC[C@H]1O
InChIInChI=1S/C10H21NO2/c1-10(2,3)7-11(4)8-5-13-6-9(8)12/h8-9,12H,5-7H2,1-4H3/t8?,9-/m1/s1
InChIKeyRIQMYMKUFDUGSG-YGPZHTELSA-N
XLogP0.72
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-4-[2,2-dimethylpropyl(methyl)amino]oxolan-3-ol?
The IUPAC name of (3S)-4-[2,2-dimethylpropyl(methyl)amino]oxolan-3-ol (CID 126988278) is (3S)-4-[2,2-dimethylpropyl(methyl)amino]oxolan-3-ol.
What is the SMILES notation for (3S)-4-[2,2-dimethylpropyl(methyl)amino]oxolan-3-ol?
The canonical SMILES for (3S)-4-[2,2-dimethylpropyl(methyl)amino]oxolan-3-ol is CN(CC(C)(C)C)C1COC[C@H]1O.
What is the InChIKey of (3S)-4-[2,2-dimethylpropyl(methyl)amino]oxolan-3-ol?
The InChIKey is RIQMYMKUFDUGSG-YGPZHTELSA-N. The full InChI is InChI=1S/C10H21NO2/c1-10(2,3)7-11(4)8-5-13-6-9(8)12/h8-9,12H,5-7H2,1-4H3/t8?,9-/m1/s1.
What are the key properties of (3S)-4-[2,2-dimethylpropyl(methyl)amino]oxolan-3-ol?
(3S)-4-[2,2-dimethylpropyl(methyl)amino]oxolan-3-ol has a molecular weight of 187.28 g/mol, XLogP of 0.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-[2,2-dimethylpropyl(methyl)amino]oxolan-3-ol is sourced from PubChem (CID 126988278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).