6-[(1E)-1-(ethylideneamino)buta-1,3-dien-2-yl]-4-propan-2-ylpyridin-3-amine

C14H19N3 — CID 143908319

IUPAC6-[(1E)-1-(ethylideneamino)buta-1,3-dien-2-yl]-4-propan-2-ylpyridin-3-amine
SMILESC=C/C(=C\N=C\C)c1cc(C(C)C)c(N)cn1
InChIInChI=1S/C14H19N3/c1-5-11(8-16-6-2)14-7-12(10(3)4)13(15)9-17-14/h5-10H,1,15H2,2-4H3/b11-8+,16-6+
InChIKeyJZCKKGXQLWECFP-CKKBXQRXSA-N
MW229.33 g/mol
LogP3.40
Rot. Bonds4

About 6-[(1E)-1-(ethylideneamino)buta-1,3-dien-2-yl]-4-propan-2-ylpyridin-3-amine

6-[(1E)-1-(ethylideneamino)buta-1,3-dien-2-yl]-4-propan-2-ylpyridin-3-amine (PubChem CID 143908319) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 6-[(1E)-1-(ethylideneamino)buta-1,3-dien-2-yl]-4-propan-2-ylpyridin-3-amine.

Molecular Properties

Compound Name6-[(1E)-1-(ethylideneamino)buta-1,3-dien-2-yl]-4-propan-2-ylpyridin-3-amine
PubChem CID143908319
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name6-[(1E)-1-(ethylideneamino)buta-1,3-dien-2-yl]-4-propan-2-ylpyridin-3-amine
SMILESC=C/C(=C\N=C\C)c1cc(C(C)C)c(N)cn1
InChIInChI=1S/C14H19N3/c1-5-11(8-16-6-2)14-7-12(10(3)4)13(15)9-17-14/h5-10H,1,15H2,2-4H3/b11-8+,16-6+
InChIKeyJZCKKGXQLWECFP-CKKBXQRXSA-N
XLogP3.40
TPSA51.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[(1E)-1-(ethylideneamino)buta-1,3-dien-2-yl]-4-propan-2-ylpyridin-3-amine?
The IUPAC name of 6-[(1E)-1-(ethylideneamino)buta-1,3-dien-2-yl]-4-propan-2-ylpyridin-3-amine (CID 143908319) is 6-[(1E)-1-(ethylideneamino)buta-1,3-dien-2-yl]-4-propan-2-ylpyridin-3-amine.
What is the SMILES notation for 6-[(1E)-1-(ethylideneamino)buta-1,3-dien-2-yl]-4-propan-2-ylpyridin-3-amine?
The canonical SMILES for 6-[(1E)-1-(ethylideneamino)buta-1,3-dien-2-yl]-4-propan-2-ylpyridin-3-amine is C=C/C(=C\N=C\C)c1cc(C(C)C)c(N)cn1.
What is the InChIKey of 6-[(1E)-1-(ethylideneamino)buta-1,3-dien-2-yl]-4-propan-2-ylpyridin-3-amine?
The InChIKey is JZCKKGXQLWECFP-CKKBXQRXSA-N. The full InChI is InChI=1S/C14H19N3/c1-5-11(8-16-6-2)14-7-12(10(3)4)13(15)9-17-14/h5-10H,1,15H2,2-4H3/b11-8+,16-6+.
What are the key properties of 6-[(1E)-1-(ethylideneamino)buta-1,3-dien-2-yl]-4-propan-2-ylpyridin-3-amine?
6-[(1E)-1-(ethylideneamino)buta-1,3-dien-2-yl]-4-propan-2-ylpyridin-3-amine has a molecular weight of 229.33 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1E)-1-(ethylideneamino)buta-1,3-dien-2-yl]-4-propan-2-ylpyridin-3-amine is sourced from PubChem (CID 143908319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).