1-(5-prop-2-enoxy-2-pyridinyl)propan-2-amine

C11H16N2O — CID 79795581

IUPAC1-(5-prop-2-enoxy-2-pyridinyl)propan-2-amine
SMILESC=CCOc1ccc(CC(C)N)nc1
InChIInChI=1S/C11H16N2O/c1-3-6-14-11-5-4-10(13-8-11)7-9(2)12/h3-5,8-9H,1,6-7,12H2,2H3
InChIKeyIJOGXWJGHTZQIF-UHFFFAOYSA-N
MW192.26 g/mol
LogP1.54
Rot. Bonds5

About 1-(5-prop-2-enoxy-2-pyridinyl)propan-2-amine

1-(5-prop-2-enoxy-2-pyridinyl)propan-2-amine (PubChem CID 79795581) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 1-(5-prop-2-enoxy-2-pyridinyl)propan-2-amine.

Molecular Properties

Compound Name1-(5-prop-2-enoxy-2-pyridinyl)propan-2-amine
PubChem CID79795581
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name1-(5-prop-2-enoxy-2-pyridinyl)propan-2-amine
SMILESC=CCOc1ccc(CC(C)N)nc1
InChIInChI=1S/C11H16N2O/c1-3-6-14-11-5-4-10(13-8-11)7-9(2)12/h3-5,8-9H,1,6-7,12H2,2H3
InChIKeyIJOGXWJGHTZQIF-UHFFFAOYSA-N
XLogP1.54
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 1-(5-prop-2-enoxy-2-pyridinyl)propan-2-amine?
The IUPAC name of 1-(5-prop-2-enoxy-2-pyridinyl)propan-2-amine (CID 79795581) is 1-(5-prop-2-enoxy-2-pyridinyl)propan-2-amine.
What is the SMILES notation for 1-(5-prop-2-enoxy-2-pyridinyl)propan-2-amine?
The canonical SMILES for 1-(5-prop-2-enoxy-2-pyridinyl)propan-2-amine is C=CCOc1ccc(CC(C)N)nc1.
What is the InChIKey of 1-(5-prop-2-enoxy-2-pyridinyl)propan-2-amine?
The InChIKey is IJOGXWJGHTZQIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-3-6-14-11-5-4-10(13-8-11)7-9(2)12/h3-5,8-9H,1,6-7,12H2,2H3.
What are the key properties of 1-(5-prop-2-enoxy-2-pyridinyl)propan-2-amine?
1-(5-prop-2-enoxy-2-pyridinyl)propan-2-amine has a molecular weight of 192.26 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-prop-2-enoxy-2-pyridinyl)propan-2-amine is sourced from PubChem (CID 79795581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).