2-(2-methylprop-1-enoxy)ethanamine

C6H13NO — CID 22218880

IUPAC2-(2-methylprop-1-enoxy)ethanamine
SMILESCC(C)=COCCN
InChIInChI=1S/C6H13NO/c1-6(2)5-8-4-3-7/h5H,3-4,7H2,1-2H3
InChIKeyVJBCJIDUOMYLLE-UHFFFAOYSA-N
MW115.18 g/mol
LogP0.89
Rot. Bonds3

About 2-(2-methylprop-1-enoxy)ethanamine

2-(2-methylprop-1-enoxy)ethanamine (PubChem CID 22218880) has the molecular formula C6H13NO and a molecular weight of 115.18 g/mol. Its IUPAC name is 2-(2-methylprop-1-enoxy)ethanamine.

Molecular Properties

Compound Name2-(2-methylprop-1-enoxy)ethanamine
PubChem CID22218880
Molecular FormulaC6H13NO
Molecular Weight115.18 g/mol
Exact Mass115.10
IUPAC Name2-(2-methylprop-1-enoxy)ethanamine
SMILESCC(C)=COCCN
InChIInChI=1S/C6H13NO/c1-6(2)5-8-4-3-7/h5H,3-4,7H2,1-2H3
InChIKeyVJBCJIDUOMYLLE-UHFFFAOYSA-N
XLogP0.89
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.18
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylprop-1-enoxy)ethanamine?
The IUPAC name of 2-(2-methylprop-1-enoxy)ethanamine (CID 22218880) is 2-(2-methylprop-1-enoxy)ethanamine.
What is the SMILES notation for 2-(2-methylprop-1-enoxy)ethanamine?
The canonical SMILES for 2-(2-methylprop-1-enoxy)ethanamine is CC(C)=COCCN.
What is the InChIKey of 2-(2-methylprop-1-enoxy)ethanamine?
The InChIKey is VJBCJIDUOMYLLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO/c1-6(2)5-8-4-3-7/h5H,3-4,7H2,1-2H3.
What are the key properties of 2-(2-methylprop-1-enoxy)ethanamine?
2-(2-methylprop-1-enoxy)ethanamine has a molecular weight of 115.18 g/mol, XLogP of 0.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylprop-1-enoxy)ethanamine is sourced from PubChem (CID 22218880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).