3-[[6-[2-[6-[(3-amino-3-phenylprop-2-enylidene)amino]-2-pyridinyl]propan-2-yl]-2-pyridinyl]imino]-1-phenylprop-1-en-1-amine

C31H30N6 — CID 140582162

About 3-[[6-[2-[6-[(3-amino-3-phenylprop-2-enylidene)amino]-2-pyridinyl]propan-2-yl]-2-pyridinyl]imino]-1-phenylprop-1-en-1-amine

3-[[6-[2-[6-[(3-amino-3-phenylprop-2-enylidene)amino]-2-pyridinyl]propan-2-yl]-2-pyridinyl]imino]-1-phenylprop-1-en-1-amine (PubChem CID 140582162) has the molecular formula C31H30N6 and a molecular weight of 486.62 g/mol. Its IUPAC name is 3-[[6-[2-[6-[(3-amino-3-phenylprop-2-enylidene)amino]-2-pyridinyl]propan-2-yl]-2-pyridinyl]imino]-1-phenylprop-1-en-1-amine.

Molecular Properties

• Compound Name: 3-[[6-[2-[6-[(3-amino-3-phenylprop-2-enylidene)amino]-2-pyridinyl]propan-2-yl]-2-pyridinyl]imino]-1-phenylprop-1-en-1-amine
• PubChem CID: 140582162
• Molecular Formula: C31H30N6
• Molecular Weight: 486.62 g/mol
• Exact Mass: 486.25
• IUPAC Name: 3-[[6-[2-[6-[(3-amino-3-phenylprop-2-enylidene)amino]-2-pyridinyl]propan-2-yl]-2-pyridinyl]imino]-1-phenylprop-1-en-1-amine
• SMILES: CC(C)(c1cccc(N=CC=C(N)c2ccccc2)n1)c1cccc(N=CC=C(N)c2ccccc2)n1
• InChI: InChI=1S/C31H30N6/c1-31(2,27-15-9-17-29(36-27)34-21-19-25(32)23-11-5-3-6-12-23)28-16-10-18-30(37-28)35-22-20-26(33)24-13-7-4-8-14-24/h3-22H,32-33H2,1-2H3
• InChIKey: KRVOZMDMPXHLDW-UHFFFAOYSA-N
• XLogP: 6.21
• TPSA: 102.54 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	486.62
LogP ≤ 5	6.21
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[[6-[2-[6-[(3-amino-3-phenylprop-2-enylidene)amino]-2-pyridinyl]propan-2-yl]-2-pyridinyl]imino]-1-phenylprop-1-en-1-amine?

The IUPAC name of 3-[[6-[2-[6-[(3-amino-3-phenylprop-2-enylidene)amino]-2-pyridinyl]propan-2-yl]-2-pyridinyl]imino]-1-phenylprop-1-en-1-amine (CID 140582162) is 3-[[6-[2-[6-[(3-amino-3-phenylprop-2-enylidene)amino]-2-pyridinyl]propan-2-yl]-2-pyridinyl]imino]-1-phenylprop-1-en-1-amine.

What is the SMILES notation for 3-[[6-[2-[6-[(3-amino-3-phenylprop-2-enylidene)amino]-2-pyridinyl]propan-2-yl]-2-pyridinyl]imino]-1-phenylprop-1-en-1-amine?

The canonical SMILES for 3-[[6-[2-[6-[(3-amino-3-phenylprop-2-enylidene)amino]-2-pyridinyl]propan-2-yl]-2-pyridinyl]imino]-1-phenylprop-1-en-1-amine is CC(C)(c1cccc(N=CC=C(N)c2ccccc2)n1)c1cccc(N=CC=C(N)c2ccccc2)n1.

What is the InChIKey of 3-[[6-[2-[6-[(3-amino-3-phenylprop-2-enylidene)amino]-2-pyridinyl]propan-2-yl]-2-pyridinyl]imino]-1-phenylprop-1-en-1-amine?

The InChIKey is KRVOZMDMPXHLDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H30N6/c1-31(2,27-15-9-17-29(36-27)34-21-19-25(32)23-11-5-3-6-12-23)28-16-10-18-30(37-28)35-22-20-26(33)24-13-7-4-8-14-24/h3-22H,32-33H2,1-2H3.

What are the key properties of 3-[[6-[2-[6-[(3-amino-3-phenylprop-2-enylidene)amino]-2-pyridinyl]propan-2-yl]-2-pyridinyl]imino]-1-phenylprop-1-en-1-amine?

3-[[6-[2-[6-[(3-amino-3-phenylprop-2-enylidene)amino]-2-pyridinyl]propan-2-yl]-2-pyridinyl]imino]-1-phenylprop-1-en-1-amine has a molecular weight of 486.62 g/mol, XLogP of 6.21, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[6-[2-[6-[(3-amino-3-phenylprop-2-enylidene)amino]-2-pyridinyl]propan-2-yl]-2-pyridinyl]imino]-1-phenylprop-1-en-1-amine is sourced from PubChem (CID 140582162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).