5-[(2E,4Z)-hepta-2,4-dien-3-yl]pyridine-3,4-diamine

C12H17N3 — CID 154654247

IUPAC5-[(2E,4Z)-hepta-2,4-dien-3-yl]pyridine-3,4-diamine
SMILESC/C=C(\C=C/CC)c1cncc(N)c1N
InChIInChI=1S/C12H17N3/c1-3-5-6-9(4-2)10-7-15-8-11(13)12(10)14/h4-8H,3,13H2,1-2H3,(H2,14,15)/b6-5-,9-4+
InChIKeyJFBYQUDETJIQGO-CXBDEZGUSA-N
MW203.29 g/mol
LogP2.62
Rot. Bonds3

About 5-[(2E,4Z)-hepta-2,4-dien-3-yl]pyridine-3,4-diamine

5-[(2E,4Z)-hepta-2,4-dien-3-yl]pyridine-3,4-diamine (PubChem CID 154654247) has the molecular formula C12H17N3 and a molecular weight of 203.29 g/mol. Its IUPAC name is 5-[(2E,4Z)-hepta-2,4-dien-3-yl]pyridine-3,4-diamine.

Molecular Properties

Compound Name5-[(2E,4Z)-hepta-2,4-dien-3-yl]pyridine-3,4-diamine
PubChem CID154654247
Molecular FormulaC12H17N3
Molecular Weight203.29 g/mol
Exact Mass203.14
IUPAC Name5-[(2E,4Z)-hepta-2,4-dien-3-yl]pyridine-3,4-diamine
SMILESC/C=C(\C=C/CC)c1cncc(N)c1N
InChIInChI=1S/C12H17N3/c1-3-5-6-9(4-2)10-7-15-8-11(13)12(10)14/h4-8H,3,13H2,1-2H3,(H2,14,15)/b6-5-,9-4+
InChIKeyJFBYQUDETJIQGO-CXBDEZGUSA-N
XLogP2.62
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[(2E,4Z)-hepta-2,4-dien-3-yl]pyridine-3,4-diamine?
The IUPAC name of 5-[(2E,4Z)-hepta-2,4-dien-3-yl]pyridine-3,4-diamine (CID 154654247) is 5-[(2E,4Z)-hepta-2,4-dien-3-yl]pyridine-3,4-diamine.
What is the SMILES notation for 5-[(2E,4Z)-hepta-2,4-dien-3-yl]pyridine-3,4-diamine?
The canonical SMILES for 5-[(2E,4Z)-hepta-2,4-dien-3-yl]pyridine-3,4-diamine is C/C=C(\C=C/CC)c1cncc(N)c1N.
What is the InChIKey of 5-[(2E,4Z)-hepta-2,4-dien-3-yl]pyridine-3,4-diamine?
The InChIKey is JFBYQUDETJIQGO-CXBDEZGUSA-N. The full InChI is InChI=1S/C12H17N3/c1-3-5-6-9(4-2)10-7-15-8-11(13)12(10)14/h4-8H,3,13H2,1-2H3,(H2,14,15)/b6-5-,9-4+.
What are the key properties of 5-[(2E,4Z)-hepta-2,4-dien-3-yl]pyridine-3,4-diamine?
5-[(2E,4Z)-hepta-2,4-dien-3-yl]pyridine-3,4-diamine has a molecular weight of 203.29 g/mol, XLogP of 2.62, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2E,4Z)-hepta-2,4-dien-3-yl]pyridine-3,4-diamine is sourced from PubChem (CID 154654247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).