1-[methyl(2-methylprop-2-enyl)amino]ethanol

C7H15NO — CID 23062121

IUPAC1-[methyl(2-methylprop-2-enyl)amino]ethanol
SMILESC=C(C)CN(C)C(C)O
InChIInChI=1S/C7H15NO/c1-6(2)5-8(4)7(3)9/h7,9H,1,5H2,2-4H3
InChIKeyBHODWVTURFSDHC-UHFFFAOYSA-N
MW129.20 g/mol
LogP0.83
Rot. Bonds3

About 1-[methyl(2-methylprop-2-enyl)amino]ethanol

1-[methyl(2-methylprop-2-enyl)amino]ethanol (PubChem CID 23062121) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is 1-[methyl(2-methylprop-2-enyl)amino]ethanol.

Molecular Properties

Compound Name1-[methyl(2-methylprop-2-enyl)amino]ethanol
PubChem CID23062121
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name1-[methyl(2-methylprop-2-enyl)amino]ethanol
SMILESC=C(C)CN(C)C(C)O
InChIInChI=1S/C7H15NO/c1-6(2)5-8(4)7(3)9/h7,9H,1,5H2,2-4H3
InChIKeyBHODWVTURFSDHC-UHFFFAOYSA-N
XLogP0.83
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[methyl(2-methylprop-2-enyl)amino]ethanol?
The IUPAC name of 1-[methyl(2-methylprop-2-enyl)amino]ethanol (CID 23062121) is 1-[methyl(2-methylprop-2-enyl)amino]ethanol.
What is the SMILES notation for 1-[methyl(2-methylprop-2-enyl)amino]ethanol?
The canonical SMILES for 1-[methyl(2-methylprop-2-enyl)amino]ethanol is C=C(C)CN(C)C(C)O.
What is the InChIKey of 1-[methyl(2-methylprop-2-enyl)amino]ethanol?
The InChIKey is BHODWVTURFSDHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO/c1-6(2)5-8(4)7(3)9/h7,9H,1,5H2,2-4H3.
What are the key properties of 1-[methyl(2-methylprop-2-enyl)amino]ethanol?
1-[methyl(2-methylprop-2-enyl)amino]ethanol has a molecular weight of 129.20 g/mol, XLogP of 0.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methyl(2-methylprop-2-enyl)amino]ethanol is sourced from PubChem (CID 23062121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).