4-[(E)-3-amino-1-phenylprop-1-enyl]pyridine-2,6-diamine

C14H16N4 — CID 130450605

IUPAC4-[(E)-3-amino-1-phenylprop-1-enyl]pyridine-2,6-diamine
SMILESNC/C=C(\c1ccccc1)c1cc(N)nc(N)c1
InChIInChI=1S/C14H16N4/c15-7-6-12(10-4-2-1-3-5-10)11-8-13(16)18-14(17)9-11/h1-6,8-9H,7,15H2,(H4,16,17,18)/b12-6+
InChIKeyDOZVUXFNCXSFFU-WUXMJOGZSA-N
MW240.31 g/mol
LogP1.64
Rot. Bonds3

About 4-[(E)-3-amino-1-phenylprop-1-enyl]pyridine-2,6-diamine

4-[(E)-3-amino-1-phenylprop-1-enyl]pyridine-2,6-diamine (PubChem CID 130450605) has the molecular formula C14H16N4 and a molecular weight of 240.31 g/mol. Its IUPAC name is 4-[(E)-3-amino-1-phenylprop-1-enyl]pyridine-2,6-diamine.

Molecular Properties

Compound Name4-[(E)-3-amino-1-phenylprop-1-enyl]pyridine-2,6-diamine
PubChem CID130450605
Molecular FormulaC14H16N4
Molecular Weight240.31 g/mol
Exact Mass240.14
IUPAC Name4-[(E)-3-amino-1-phenylprop-1-enyl]pyridine-2,6-diamine
SMILESNC/C=C(\c1ccccc1)c1cc(N)nc(N)c1
InChIInChI=1S/C14H16N4/c15-7-6-12(10-4-2-1-3-5-10)11-8-13(16)18-14(17)9-11/h1-6,8-9H,7,15H2,(H4,16,17,18)/b12-6+
InChIKeyDOZVUXFNCXSFFU-WUXMJOGZSA-N
XLogP1.64
TPSA90.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 51.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-3-amino-1-phenylprop-1-enyl]pyridine-2,6-diamine?
The IUPAC name of 4-[(E)-3-amino-1-phenylprop-1-enyl]pyridine-2,6-diamine (CID 130450605) is 4-[(E)-3-amino-1-phenylprop-1-enyl]pyridine-2,6-diamine.
What is the SMILES notation for 4-[(E)-3-amino-1-phenylprop-1-enyl]pyridine-2,6-diamine?
The canonical SMILES for 4-[(E)-3-amino-1-phenylprop-1-enyl]pyridine-2,6-diamine is NC/C=C(\c1ccccc1)c1cc(N)nc(N)c1.
What is the InChIKey of 4-[(E)-3-amino-1-phenylprop-1-enyl]pyridine-2,6-diamine?
The InChIKey is DOZVUXFNCXSFFU-WUXMJOGZSA-N. The full InChI is InChI=1S/C14H16N4/c15-7-6-12(10-4-2-1-3-5-10)11-8-13(16)18-14(17)9-11/h1-6,8-9H,7,15H2,(H4,16,17,18)/b12-6+.
What are the key properties of 4-[(E)-3-amino-1-phenylprop-1-enyl]pyridine-2,6-diamine?
4-[(E)-3-amino-1-phenylprop-1-enyl]pyridine-2,6-diamine has a molecular weight of 240.31 g/mol, XLogP of 1.64, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-3-amino-1-phenylprop-1-enyl]pyridine-2,6-diamine is sourced from PubChem (CID 130450605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).