3-(1-amino-4-methoxy-2,4-dimethylpentan-2-yl)oxypropan-1-ol

C11H25NO3 — CID 103377289

IUPAC3-(1-amino-4-methoxy-2,4-dimethylpentan-2-yl)oxypropan-1-ol
SMILESCOC(C)(C)CC(C)(CN)OCCCO
InChIInChI=1S/C11H25NO3/c1-10(2,14-4)8-11(3,9-12)15-7-5-6-13/h13H,5-9,12H2,1-4H3
InChIKeyFLNZUDQVBUVNOY-UHFFFAOYSA-N
MW219.32 g/mol
LogP0.92
Rot. Bonds8

About 3-(1-amino-4-methoxy-2,4-dimethylpentan-2-yl)oxypropan-1-ol

3-(1-amino-4-methoxy-2,4-dimethylpentan-2-yl)oxypropan-1-ol (PubChem CID 103377289) has the molecular formula C11H25NO3 and a molecular weight of 219.32 g/mol. Its IUPAC name is 3-(1-amino-4-methoxy-2,4-dimethylpentan-2-yl)oxypropan-1-ol.

Molecular Properties

Compound Name3-(1-amino-4-methoxy-2,4-dimethylpentan-2-yl)oxypropan-1-ol
PubChem CID103377289
Molecular FormulaC11H25NO3
Molecular Weight219.32 g/mol
Exact Mass219.18
IUPAC Name3-(1-amino-4-methoxy-2,4-dimethylpentan-2-yl)oxypropan-1-ol
SMILESCOC(C)(C)CC(C)(CN)OCCCO
InChIInChI=1S/C11H25NO3/c1-10(2,14-4)8-11(3,9-12)15-7-5-6-13/h13H,5-9,12H2,1-4H3
InChIKeyFLNZUDQVBUVNOY-UHFFFAOYSA-N
XLogP0.92
TPSA64.71 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 ≤ 50.92
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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Frequently Asked Questions

What is the IUPAC name of 3-(1-amino-4-methoxy-2,4-dimethylpentan-2-yl)oxypropan-1-ol?
The IUPAC name of 3-(1-amino-4-methoxy-2,4-dimethylpentan-2-yl)oxypropan-1-ol (CID 103377289) is 3-(1-amino-4-methoxy-2,4-dimethylpentan-2-yl)oxypropan-1-ol.
What is the SMILES notation for 3-(1-amino-4-methoxy-2,4-dimethylpentan-2-yl)oxypropan-1-ol?
The canonical SMILES for 3-(1-amino-4-methoxy-2,4-dimethylpentan-2-yl)oxypropan-1-ol is COC(C)(C)CC(C)(CN)OCCCO.
What is the InChIKey of 3-(1-amino-4-methoxy-2,4-dimethylpentan-2-yl)oxypropan-1-ol?
The InChIKey is FLNZUDQVBUVNOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO3/c1-10(2,14-4)8-11(3,9-12)15-7-5-6-13/h13H,5-9,12H2,1-4H3.
What are the key properties of 3-(1-amino-4-methoxy-2,4-dimethylpentan-2-yl)oxypropan-1-ol?
3-(1-amino-4-methoxy-2,4-dimethylpentan-2-yl)oxypropan-1-ol has a molecular weight of 219.32 g/mol, XLogP of 0.92, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-amino-4-methoxy-2,4-dimethylpentan-2-yl)oxypropan-1-ol is sourced from PubChem (CID 103377289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).