2-[methyl(prop-2-enyl)amino]ethanol

C6H13NO — CID 3780678

IUPAC2-[methyl(prop-2-enyl)amino]ethanol
SMILESC=CCN(C)CCO
InChIInChI=1S/C6H13NO/c1-3-4-7(2)5-6-8/h3,8H,1,4-6H2,2H3
InChIKeyZONBMWRPZHKNBV-UHFFFAOYSA-N
MW115.18 g/mol
LogP0.10
Rot. Bonds4

About 2-[methyl(prop-2-enyl)amino]ethanol

2-[methyl(prop-2-enyl)amino]ethanol (PubChem CID 3780678) has the molecular formula C6H13NO and a molecular weight of 115.18 g/mol. Its IUPAC name is 2-[methyl(prop-2-enyl)amino]ethanol.

Molecular Properties

Compound Name2-[methyl(prop-2-enyl)amino]ethanol
PubChem CID3780678
Molecular FormulaC6H13NO
Molecular Weight115.18 g/mol
Exact Mass115.10
IUPAC Name2-[methyl(prop-2-enyl)amino]ethanol
SMILESC=CCN(C)CCO
InChIInChI=1S/C6H13NO/c1-3-4-7(2)5-6-8/h3,8H,1,4-6H2,2H3
InChIKeyZONBMWRPZHKNBV-UHFFFAOYSA-N
XLogP0.10
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.18
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl(prop-2-enyl)amino]ethanol?
The IUPAC name of 2-[methyl(prop-2-enyl)amino]ethanol (CID 3780678) is 2-[methyl(prop-2-enyl)amino]ethanol.
What is the SMILES notation for 2-[methyl(prop-2-enyl)amino]ethanol?
The canonical SMILES for 2-[methyl(prop-2-enyl)amino]ethanol is C=CCN(C)CCO.
What is the InChIKey of 2-[methyl(prop-2-enyl)amino]ethanol?
The InChIKey is ZONBMWRPZHKNBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO/c1-3-4-7(2)5-6-8/h3,8H,1,4-6H2,2H3.
What are the key properties of 2-[methyl(prop-2-enyl)amino]ethanol?
2-[methyl(prop-2-enyl)amino]ethanol has a molecular weight of 115.18 g/mol, XLogP of 0.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(prop-2-enyl)amino]ethanol is sourced from PubChem (CID 3780678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).