2-[[(E)-3-methoxy-2-methylprop-1-enyl]amino]ethanol

C7H15NO2 — CID 89259857

IUPAC2-[[(E)-3-methoxy-2-methylprop-1-enyl]amino]ethanol
SMILESCOC/C(C)=C/NCCO
InChIInChI=1S/C7H15NO2/c1-7(6-10-2)5-8-3-4-9/h5,8-9H,3-4,6H2,1-2H3/b7-5+
InChIKeyYTDDWWWSAHFFPO-FNORWQNLSA-N
MW145.20 g/mol
LogP0.12
Rot. Bonds5

About 2-[[(E)-3-methoxy-2-methylprop-1-enyl]amino]ethanol

2-[[(E)-3-methoxy-2-methylprop-1-enyl]amino]ethanol (PubChem CID 89259857) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is 2-[[(E)-3-methoxy-2-methylprop-1-enyl]amino]ethanol.

Molecular Properties

Compound Name2-[[(E)-3-methoxy-2-methylprop-1-enyl]amino]ethanol
PubChem CID89259857
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC Name2-[[(E)-3-methoxy-2-methylprop-1-enyl]amino]ethanol
SMILESCOC/C(C)=C/NCCO
InChIInChI=1S/C7H15NO2/c1-7(6-10-2)5-8-3-4-9/h5,8-9H,3-4,6H2,1-2H3/b7-5+
InChIKeyYTDDWWWSAHFFPO-FNORWQNLSA-N
XLogP0.12
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 146322364
CID 146322364
CID 156454558
CID 156454558
CID 164045847
CID 164045847
CID 114467469
CID 114467469

Frequently Asked Questions

What is the IUPAC name of 2-[[(E)-3-methoxy-2-methylprop-1-enyl]amino]ethanol?
The IUPAC name of 2-[[(E)-3-methoxy-2-methylprop-1-enyl]amino]ethanol (CID 89259857) is 2-[[(E)-3-methoxy-2-methylprop-1-enyl]amino]ethanol.
What is the SMILES notation for 2-[[(E)-3-methoxy-2-methylprop-1-enyl]amino]ethanol?
The canonical SMILES for 2-[[(E)-3-methoxy-2-methylprop-1-enyl]amino]ethanol is COC/C(C)=C/NCCO.
What is the InChIKey of 2-[[(E)-3-methoxy-2-methylprop-1-enyl]amino]ethanol?
The InChIKey is YTDDWWWSAHFFPO-FNORWQNLSA-N. The full InChI is InChI=1S/C7H15NO2/c1-7(6-10-2)5-8-3-4-9/h5,8-9H,3-4,6H2,1-2H3/b7-5+.
What are the key properties of 2-[[(E)-3-methoxy-2-methylprop-1-enyl]amino]ethanol?
2-[[(E)-3-methoxy-2-methylprop-1-enyl]amino]ethanol has a molecular weight of 145.20 g/mol, XLogP of 0.12, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(E)-3-methoxy-2-methylprop-1-enyl]amino]ethanol is sourced from PubChem (CID 89259857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).