(2S)-2-ethoxy-4-[2-hydroxyethyl(methyl)amino]hexan-3-ol

C11H25NO3 — CID 134314881

IUPAC(2S)-2-ethoxy-4-[2-hydroxyethyl(methyl)amino]hexan-3-ol
SMILESCCO[C@@H](C)C(O)C(CC)N(C)CCO
InChIInChI=1S/C11H25NO3/c1-5-10(12(4)7-8-13)11(14)9(3)15-6-2/h9-11,13-14H,5-8H2,1-4H3/t9-,10?,11?/m0/s1
InChIKeyWFSWTSPLWZWHSN-WHXUTIOJSA-N
MW219.32 g/mol
LogP0.47
Rot. Bonds8

About (2S)-2-ethoxy-4-[2-hydroxyethyl(methyl)amino]hexan-3-ol

(2S)-2-ethoxy-4-[2-hydroxyethyl(methyl)amino]hexan-3-ol (PubChem CID 134314881) has the molecular formula C11H25NO3 and a molecular weight of 219.32 g/mol. Its IUPAC name is (2S)-2-ethoxy-4-[2-hydroxyethyl(methyl)amino]hexan-3-ol.

Molecular Properties

Compound Name(2S)-2-ethoxy-4-[2-hydroxyethyl(methyl)amino]hexan-3-ol
PubChem CID134314881
Molecular FormulaC11H25NO3
Molecular Weight219.32 g/mol
Exact Mass219.18
IUPAC Name(2S)-2-ethoxy-4-[2-hydroxyethyl(methyl)amino]hexan-3-ol
SMILESCCO[C@@H](C)C(O)C(CC)N(C)CCO
InChIInChI=1S/C11H25NO3/c1-5-10(12(4)7-8-13)11(14)9(3)15-6-2/h9-11,13-14H,5-8H2,1-4H3/t9-,10?,11?/m0/s1
InChIKeyWFSWTSPLWZWHSN-WHXUTIOJSA-N
XLogP0.47
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.32
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-ethoxy-4-[2-hydroxyethyl(methyl)amino]hexan-3-ol?
The IUPAC name of (2S)-2-ethoxy-4-[2-hydroxyethyl(methyl)amino]hexan-3-ol (CID 134314881) is (2S)-2-ethoxy-4-[2-hydroxyethyl(methyl)amino]hexan-3-ol.
What is the SMILES notation for (2S)-2-ethoxy-4-[2-hydroxyethyl(methyl)amino]hexan-3-ol?
The canonical SMILES for (2S)-2-ethoxy-4-[2-hydroxyethyl(methyl)amino]hexan-3-ol is CCO[C@@H](C)C(O)C(CC)N(C)CCO.
What is the InChIKey of (2S)-2-ethoxy-4-[2-hydroxyethyl(methyl)amino]hexan-3-ol?
The InChIKey is WFSWTSPLWZWHSN-WHXUTIOJSA-N. The full InChI is InChI=1S/C11H25NO3/c1-5-10(12(4)7-8-13)11(14)9(3)15-6-2/h9-11,13-14H,5-8H2,1-4H3/t9-,10?,11?/m0/s1.
What are the key properties of (2S)-2-ethoxy-4-[2-hydroxyethyl(methyl)amino]hexan-3-ol?
(2S)-2-ethoxy-4-[2-hydroxyethyl(methyl)amino]hexan-3-ol has a molecular weight of 219.32 g/mol, XLogP of 0.47, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-ethoxy-4-[2-hydroxyethyl(methyl)amino]hexan-3-ol is sourced from PubChem (CID 134314881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).