2-prop-1-en-2-yloxyethanamine

C5H11NO — CID 89149682

IUPAC2-prop-1-en-2-yloxyethanamine
SMILESC=C(C)OCCN
InChIInChI=1S/C5H11NO/c1-5(2)7-4-3-6/h1,3-4,6H2,2H3
InChIKeyOQYZXNBDLARKMZ-UHFFFAOYSA-N
MW101.15 g/mol
LogP0.50
Rot. Bonds3

About 2-prop-1-en-2-yloxyethanamine

2-prop-1-en-2-yloxyethanamine (PubChem CID 89149682) has the molecular formula C5H11NO and a molecular weight of 101.15 g/mol. Its IUPAC name is 2-prop-1-en-2-yloxyethanamine.

Molecular Properties

Compound Name2-prop-1-en-2-yloxyethanamine
PubChem CID89149682
Molecular FormulaC5H11NO
Molecular Weight101.15 g/mol
Exact Mass101.08
IUPAC Name2-prop-1-en-2-yloxyethanamine
SMILESC=C(C)OCCN
InChIInChI=1S/C5H11NO/c1-5(2)7-4-3-6/h1,3-4,6H2,2H3
InChIKeyOQYZXNBDLARKMZ-UHFFFAOYSA-N
XLogP0.50
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.15
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-prop-1-en-2-yloxyethanamine?
The IUPAC name of 2-prop-1-en-2-yloxyethanamine (CID 89149682) is 2-prop-1-en-2-yloxyethanamine.
What is the SMILES notation for 2-prop-1-en-2-yloxyethanamine?
The canonical SMILES for 2-prop-1-en-2-yloxyethanamine is C=C(C)OCCN.
What is the InChIKey of 2-prop-1-en-2-yloxyethanamine?
The InChIKey is OQYZXNBDLARKMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO/c1-5(2)7-4-3-6/h1,3-4,6H2,2H3.
What are the key properties of 2-prop-1-en-2-yloxyethanamine?
2-prop-1-en-2-yloxyethanamine has a molecular weight of 101.15 g/mol, XLogP of 0.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-1-en-2-yloxyethanamine is sourced from PubChem (CID 89149682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).