5-ethenyl-4-(methylideneamino)-3-propan-2-yloxypyridin-2-amine

C11H15N3O — CID 142879348

IUPAC5-ethenyl-4-(methylideneamino)-3-propan-2-yloxypyridin-2-amine
SMILESC=Cc1cnc(N)c(OC(C)C)c1N=C
InChIInChI=1S/C11H15N3O/c1-5-8-6-14-11(12)10(9(8)13-4)15-7(2)3/h5-7H,1,4H2,2-3H3,(H2,12,14)
InChIKeyWMMADYXYPNKNNO-UHFFFAOYSA-N
MW205.26 g/mol
LogP2.43
Rot. Bonds4

About 5-ethenyl-4-(methylideneamino)-3-propan-2-yloxypyridin-2-amine

5-ethenyl-4-(methylideneamino)-3-propan-2-yloxypyridin-2-amine (PubChem CID 142879348) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 5-ethenyl-4-(methylideneamino)-3-propan-2-yloxypyridin-2-amine.

Molecular Properties

Compound Name5-ethenyl-4-(methylideneamino)-3-propan-2-yloxypyridin-2-amine
PubChem CID142879348
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name5-ethenyl-4-(methylideneamino)-3-propan-2-yloxypyridin-2-amine
SMILESC=Cc1cnc(N)c(OC(C)C)c1N=C
InChIInChI=1S/C11H15N3O/c1-5-8-6-14-11(12)10(9(8)13-4)15-7(2)3/h5-7H,1,4H2,2-3H3,(H2,12,14)
InChIKeyWMMADYXYPNKNNO-UHFFFAOYSA-N
XLogP2.43
TPSA60.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-4-(methylideneamino)-3-propan-2-yloxypyridin-2-amine?
The IUPAC name of 5-ethenyl-4-(methylideneamino)-3-propan-2-yloxypyridin-2-amine (CID 142879348) is 5-ethenyl-4-(methylideneamino)-3-propan-2-yloxypyridin-2-amine.
What is the SMILES notation for 5-ethenyl-4-(methylideneamino)-3-propan-2-yloxypyridin-2-amine?
The canonical SMILES for 5-ethenyl-4-(methylideneamino)-3-propan-2-yloxypyridin-2-amine is C=Cc1cnc(N)c(OC(C)C)c1N=C.
What is the InChIKey of 5-ethenyl-4-(methylideneamino)-3-propan-2-yloxypyridin-2-amine?
The InChIKey is WMMADYXYPNKNNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-5-8-6-14-11(12)10(9(8)13-4)15-7(2)3/h5-7H,1,4H2,2-3H3,(H2,12,14).
What are the key properties of 5-ethenyl-4-(methylideneamino)-3-propan-2-yloxypyridin-2-amine?
5-ethenyl-4-(methylideneamino)-3-propan-2-yloxypyridin-2-amine has a molecular weight of 205.26 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-4-(methylideneamino)-3-propan-2-yloxypyridin-2-amine is sourced from PubChem (CID 142879348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).