4-(4,5-dimethylhexa-2,4-dien-3-yloxy)pyridin-2-amine

C13H18N2O — CID 123933035

IUPAC4-(4,5-dimethylhexa-2,4-dien-3-yloxy)pyridin-2-amine
SMILESCC=C(Oc1ccnc(N)c1)C(C)=C(C)C
InChIInChI=1S/C13H18N2O/c1-5-12(10(4)9(2)3)16-11-6-7-15-13(14)8-11/h5-8H,1-4H3,(H2,14,15)
InChIKeyBFFXYGUCACCGFN-UHFFFAOYSA-N
MW218.30 g/mol
LogP3.30
Rot. Bonds3

About 4-(4,5-dimethylhexa-2,4-dien-3-yloxy)pyridin-2-amine

4-(4,5-dimethylhexa-2,4-dien-3-yloxy)pyridin-2-amine (PubChem CID 123933035) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 4-(4,5-dimethylhexa-2,4-dien-3-yloxy)pyridin-2-amine.

Molecular Properties

Compound Name4-(4,5-dimethylhexa-2,4-dien-3-yloxy)pyridin-2-amine
PubChem CID123933035
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name4-(4,5-dimethylhexa-2,4-dien-3-yloxy)pyridin-2-amine
SMILESCC=C(Oc1ccnc(N)c1)C(C)=C(C)C
InChIInChI=1S/C13H18N2O/c1-5-12(10(4)9(2)3)16-11-6-7-15-13(14)8-11/h5-8H,1-4H3,(H2,14,15)
InChIKeyBFFXYGUCACCGFN-UHFFFAOYSA-N
XLogP3.30
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4,5-dimethylhexa-2,4-dien-3-yloxy)pyridin-2-amine?
The IUPAC name of 4-(4,5-dimethylhexa-2,4-dien-3-yloxy)pyridin-2-amine (CID 123933035) is 4-(4,5-dimethylhexa-2,4-dien-3-yloxy)pyridin-2-amine.
What is the SMILES notation for 4-(4,5-dimethylhexa-2,4-dien-3-yloxy)pyridin-2-amine?
The canonical SMILES for 4-(4,5-dimethylhexa-2,4-dien-3-yloxy)pyridin-2-amine is CC=C(Oc1ccnc(N)c1)C(C)=C(C)C.
What is the InChIKey of 4-(4,5-dimethylhexa-2,4-dien-3-yloxy)pyridin-2-amine?
The InChIKey is BFFXYGUCACCGFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-5-12(10(4)9(2)3)16-11-6-7-15-13(14)8-11/h5-8H,1-4H3,(H2,14,15).
What are the key properties of 4-(4,5-dimethylhexa-2,4-dien-3-yloxy)pyridin-2-amine?
4-(4,5-dimethylhexa-2,4-dien-3-yloxy)pyridin-2-amine has a molecular weight of 218.30 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,5-dimethylhexa-2,4-dien-3-yloxy)pyridin-2-amine is sourced from PubChem (CID 123933035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).