(3S)-4-(5-methoxypentoxy)-3-(methylamino)butan-2-ol

C11H25NO3 — CID 155283588

IUPAC(3S)-4-(5-methoxypentoxy)-3-(methylamino)butan-2-ol
SMILESCN[C@@H](COCCCCCOC)C(C)O
InChIInChI=1S/C11H25NO3/c1-10(13)11(12-2)9-15-8-6-4-5-7-14-3/h10-13H,4-9H2,1-3H3/t10?,11-/m0/s1
InChIKeyUQHHMLDWQHFJTB-DTIOYNMSSA-N
MW219.32 g/mol
LogP0.79
Rot. Bonds10

About (3S)-4-(5-methoxypentoxy)-3-(methylamino)butan-2-ol

(3S)-4-(5-methoxypentoxy)-3-(methylamino)butan-2-ol (PubChem CID 155283588) has the molecular formula C11H25NO3 and a molecular weight of 219.32 g/mol. Its IUPAC name is (3S)-4-(5-methoxypentoxy)-3-(methylamino)butan-2-ol.

Molecular Properties

Compound Name(3S)-4-(5-methoxypentoxy)-3-(methylamino)butan-2-ol
PubChem CID155283588
Molecular FormulaC11H25NO3
Molecular Weight219.32 g/mol
Exact Mass219.18
IUPAC Name(3S)-4-(5-methoxypentoxy)-3-(methylamino)butan-2-ol
SMILESCN[C@@H](COCCCCCOC)C(C)O
InChIInChI=1S/C11H25NO3/c1-10(13)11(12-2)9-15-8-6-4-5-7-14-3/h10-13H,4-9H2,1-3H3/t10?,11-/m0/s1
InChIKeyUQHHMLDWQHFJTB-DTIOYNMSSA-N
XLogP0.79
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.32
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-1-[2-(3-methoxypropoxy)ethoxy]propan-2-ol
CID 103179631
1-methoxy-8-[3-[5-(2-methoxyethoxy)pentoxy]-2-methylpropoxy]octane
CID 129036094
2-[3-(2-methoxyethoxy)propoxy]-1-(methylamino)ethanol
CID 146605981
1-methoxy-6-(6-methoxyhexoxy)hexane
CID 154493017
1-(4-methoxybutylamino)-3-(4-methylpentoxy)propan-2-ol
CID 60971092
1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-N,3-dimethylpentan-2-amine
CID 104560546
1-[2-(2-methoxyethoxy)ethoxy]-N,3-dimethylpentan-2-amine
CID 104560721
1,4-dimethoxy-2-N,3-N-dimethylbutane-2,3-diamine
CID 163765545
8-methoxy-N,4-dimethyloctan-3-amine
CID 104648384
1-hexoxy-3-methoxy-N-methylpropan-2-amine
CID 107506726
1-(2-methoxyethoxyamino)-3-(4-methylpentoxy)propan-2-ol
CID 82723139
methane;7-methoxyheptan-2-ol
CID 158258066

Frequently Asked Questions

What is the IUPAC name of (3S)-4-(5-methoxypentoxy)-3-(methylamino)butan-2-ol?
The IUPAC name of (3S)-4-(5-methoxypentoxy)-3-(methylamino)butan-2-ol (CID 155283588) is (3S)-4-(5-methoxypentoxy)-3-(methylamino)butan-2-ol.
What is the SMILES notation for (3S)-4-(5-methoxypentoxy)-3-(methylamino)butan-2-ol?
The canonical SMILES for (3S)-4-(5-methoxypentoxy)-3-(methylamino)butan-2-ol is CN[C@@H](COCCCCCOC)C(C)O.
What is the InChIKey of (3S)-4-(5-methoxypentoxy)-3-(methylamino)butan-2-ol?
The InChIKey is UQHHMLDWQHFJTB-DTIOYNMSSA-N. The full InChI is InChI=1S/C11H25NO3/c1-10(13)11(12-2)9-15-8-6-4-5-7-14-3/h10-13H,4-9H2,1-3H3/t10?,11-/m0/s1.
What are the key properties of (3S)-4-(5-methoxypentoxy)-3-(methylamino)butan-2-ol?
(3S)-4-(5-methoxypentoxy)-3-(methylamino)butan-2-ol has a molecular weight of 219.32 g/mol, XLogP of 0.79, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-(5-methoxypentoxy)-3-(methylamino)butan-2-ol is sourced from PubChem (CID 155283588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).