(2S)-3-(diethylamino)-1,1-diethoxypropan-2-ol

C11H25NO3 — CID 95562516

IUPAC(2S)-3-(diethylamino)-1,1-diethoxypropan-2-ol
SMILESCCOC(OCC)[C@@H](O)CN(CC)CC
InChIInChI=1S/C11H25NO3/c1-5-12(6-2)9-10(13)11(14-7-3)15-8-4/h10-11,13H,5-9H2,1-4H3/t10-/m0/s1
InChIKeySFPZYVBTKKNZCM-JTQLQIEISA-N
MW219.32 g/mol
LogP1.09
Rot. Bonds9

About (2S)-3-(diethylamino)-1,1-diethoxypropan-2-ol

(2S)-3-(diethylamino)-1,1-diethoxypropan-2-ol (PubChem CID 95562516) has the molecular formula C11H25NO3 and a molecular weight of 219.32 g/mol. Its IUPAC name is (2S)-3-(diethylamino)-1,1-diethoxypropan-2-ol.

Molecular Properties

Compound Name(2S)-3-(diethylamino)-1,1-diethoxypropan-2-ol
PubChem CID95562516
Molecular FormulaC11H25NO3
Molecular Weight219.32 g/mol
Exact Mass219.18
IUPAC Name(2S)-3-(diethylamino)-1,1-diethoxypropan-2-ol
SMILESCCOC(OCC)[C@@H](O)CN(CC)CC
InChIInChI=1S/C11H25NO3/c1-5-12(6-2)9-10(13)11(14-7-3)15-8-4/h10-11,13H,5-9H2,1-4H3/t10-/m0/s1
InChIKeySFPZYVBTKKNZCM-JTQLQIEISA-N
XLogP1.09
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.32
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(2R)-1,1-diethoxy-3-fluoropropan-2-ol
CID 131846513
2-(diethylamino)ethane-1,1-diol;hydrobromide
CID 175089044
(2S)-3-ethoxy-3-(2-hydroxyethoxy)propane-1,2-diol
CID 89386326
1,1-diethoxypent-4-yn-2-ol
CID 79495751
1,1-diethoxy-3-(4-ethylphenyl)propan-2-ol
CID 79495839
6-amino-1-(diethylamino)hexane-2,3,5-triol
CID 19100456
1,1-diethoxy-4-methylidenehexan-2-ol
CID 79495661
1,1-diethoxyhept-5-yn-2-ol
CID 104804060
3-(4-chlorophenyl)-1,1-diethoxypropan-2-ol
CID 79495652
2,2-diethoxy-1-methoxyethanol
CID 123958282
(2R)-1-amino-3-(diethylamino)propan-2-ol
CID 7000197
3-(diethylamino)propane-1,2-diol;hydrochloride
CID 174870807

Frequently Asked Questions

What is the IUPAC name of (2S)-3-(diethylamino)-1,1-diethoxypropan-2-ol?
The IUPAC name of (2S)-3-(diethylamino)-1,1-diethoxypropan-2-ol (CID 95562516) is (2S)-3-(diethylamino)-1,1-diethoxypropan-2-ol.
What is the SMILES notation for (2S)-3-(diethylamino)-1,1-diethoxypropan-2-ol?
The canonical SMILES for (2S)-3-(diethylamino)-1,1-diethoxypropan-2-ol is CCOC(OCC)[C@@H](O)CN(CC)CC.
What is the InChIKey of (2S)-3-(diethylamino)-1,1-diethoxypropan-2-ol?
The InChIKey is SFPZYVBTKKNZCM-JTQLQIEISA-N. The full InChI is InChI=1S/C11H25NO3/c1-5-12(6-2)9-10(13)11(14-7-3)15-8-4/h10-11,13H,5-9H2,1-4H3/t10-/m0/s1.
What are the key properties of (2S)-3-(diethylamino)-1,1-diethoxypropan-2-ol?
(2S)-3-(diethylamino)-1,1-diethoxypropan-2-ol has a molecular weight of 219.32 g/mol, XLogP of 1.09, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-(diethylamino)-1,1-diethoxypropan-2-ol is sourced from PubChem (CID 95562516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).