1-(4-but-1-en-2-yl-2-methylidene-3H-pyridin-6-yl)ethenamine;N-methylpropan-2-imine

C16H25N3 — CID 143344050

IUPAC1-(4-but-1-en-2-yl-2-methylidene-3H-pyridin-6-yl)ethenamine;N-methylpropan-2-imine
SMILESC=C1CC(C(=C)CC)=CC(C(=C)N)=N1.CN=C(C)C
InChIInChI=1S/C12H16N2.C4H9N/c1-5-8(2)11-6-9(3)14-12(7-11)10(4)13;1-4(2)5-3/h7H,2-6,13H2,1H3;1-3H3
InChIKeyCAMCJBDIGGZCKG-UHFFFAOYSA-N
MW259.40 g/mol
LogP3.81
Rot. Bonds3

About 1-(4-but-1-en-2-yl-2-methylidene-3H-pyridin-6-yl)ethenamine;N-methylpropan-2-imine

1-(4-but-1-en-2-yl-2-methylidene-3H-pyridin-6-yl)ethenamine;N-methylpropan-2-imine (PubChem CID 143344050) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is 1-(4-but-1-en-2-yl-2-methylidene-3H-pyridin-6-yl)ethenamine;N-methylpropan-2-imine.

Molecular Properties

Compound Name1-(4-but-1-en-2-yl-2-methylidene-3H-pyridin-6-yl)ethenamine;N-methylpropan-2-imine
PubChem CID143344050
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC Name1-(4-but-1-en-2-yl-2-methylidene-3H-pyridin-6-yl)ethenamine;N-methylpropan-2-imine
SMILESC=C1CC(C(=C)CC)=CC(C(=C)N)=N1.CN=C(C)C
InChIInChI=1S/C12H16N2.C4H9N/c1-5-8(2)11-6-9(3)14-12(7-11)10(4)13;1-4(2)5-3/h7H,2-6,13H2,1H3;1-3H3
InChIKeyCAMCJBDIGGZCKG-UHFFFAOYSA-N
XLogP3.81
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 1-(4-but-1-en-2-yl-2-methylidene-3H-pyridin-6-yl)ethenamine;N-methylpropan-2-imine?
The IUPAC name of 1-(4-but-1-en-2-yl-2-methylidene-3H-pyridin-6-yl)ethenamine;N-methylpropan-2-imine (CID 143344050) is 1-(4-but-1-en-2-yl-2-methylidene-3H-pyridin-6-yl)ethenamine;N-methylpropan-2-imine.
What is the SMILES notation for 1-(4-but-1-en-2-yl-2-methylidene-3H-pyridin-6-yl)ethenamine;N-methylpropan-2-imine?
The canonical SMILES for 1-(4-but-1-en-2-yl-2-methylidene-3H-pyridin-6-yl)ethenamine;N-methylpropan-2-imine is C=C1CC(C(=C)CC)=CC(C(=C)N)=N1.CN=C(C)C.
What is the InChIKey of 1-(4-but-1-en-2-yl-2-methylidene-3H-pyridin-6-yl)ethenamine;N-methylpropan-2-imine?
The InChIKey is CAMCJBDIGGZCKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2.C4H9N/c1-5-8(2)11-6-9(3)14-12(7-11)10(4)13;1-4(2)5-3/h7H,2-6,13H2,1H3;1-3H3.
What are the key properties of 1-(4-but-1-en-2-yl-2-methylidene-3H-pyridin-6-yl)ethenamine;N-methylpropan-2-imine?
1-(4-but-1-en-2-yl-2-methylidene-3H-pyridin-6-yl)ethenamine;N-methylpropan-2-imine has a molecular weight of 259.40 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-but-1-en-2-yl-2-methylidene-3H-pyridin-6-yl)ethenamine;N-methylpropan-2-imine is sourced from PubChem (CID 143344050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).