1-(4-methoxy-3,5-dimethyl-2-pyridinyl)pent-4-en-2-amine

C13H20N2O — CID 116660339

IUPAC1-(4-methoxy-3,5-dimethyl-2-pyridinyl)pent-4-en-2-amine
SMILESC=CCC(N)Cc1ncc(C)c(OC)c1C
InChIInChI=1S/C13H20N2O/c1-5-6-11(14)7-12-10(3)13(16-4)9(2)8-15-12/h5,8,11H,1,6-7,14H2,2-4H3
InChIKeyAQOAUYDLHMFNNG-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.15
Rot. Bonds5

About 1-(4-methoxy-3,5-dimethyl-2-pyridinyl)pent-4-en-2-amine

1-(4-methoxy-3,5-dimethyl-2-pyridinyl)pent-4-en-2-amine (PubChem CID 116660339) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 1-(4-methoxy-3,5-dimethyl-2-pyridinyl)pent-4-en-2-amine.

Molecular Properties

Compound Name1-(4-methoxy-3,5-dimethyl-2-pyridinyl)pent-4-en-2-amine
PubChem CID116660339
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name1-(4-methoxy-3,5-dimethyl-2-pyridinyl)pent-4-en-2-amine
SMILESC=CCC(N)Cc1ncc(C)c(OC)c1C
InChIInChI=1S/C13H20N2O/c1-5-6-11(14)7-12-10(3)13(16-4)9(2)8-15-12/h5,8,11H,1,6-7,14H2,2-4H3
InChIKeyAQOAUYDLHMFNNG-UHFFFAOYSA-N
XLogP2.15
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.15
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-(4-methoxy-3,5-dimethyl-2-pyridinyl)pent-4-en-2-amine?
The IUPAC name of 1-(4-methoxy-3,5-dimethyl-2-pyridinyl)pent-4-en-2-amine (CID 116660339) is 1-(4-methoxy-3,5-dimethyl-2-pyridinyl)pent-4-en-2-amine.
What is the SMILES notation for 1-(4-methoxy-3,5-dimethyl-2-pyridinyl)pent-4-en-2-amine?
The canonical SMILES for 1-(4-methoxy-3,5-dimethyl-2-pyridinyl)pent-4-en-2-amine is C=CCC(N)Cc1ncc(C)c(OC)c1C.
What is the InChIKey of 1-(4-methoxy-3,5-dimethyl-2-pyridinyl)pent-4-en-2-amine?
The InChIKey is AQOAUYDLHMFNNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-5-6-11(14)7-12-10(3)13(16-4)9(2)8-15-12/h5,8,11H,1,6-7,14H2,2-4H3.
What are the key properties of 1-(4-methoxy-3,5-dimethyl-2-pyridinyl)pent-4-en-2-amine?
1-(4-methoxy-3,5-dimethyl-2-pyridinyl)pent-4-en-2-amine has a molecular weight of 220.32 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-3,5-dimethyl-2-pyridinyl)pent-4-en-2-amine is sourced from PubChem (CID 116660339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).