(Z)-3-[(1Z,3Z)-2-ethenyl-3-[C-(2-ethyl-5-methylcyclohexa-1,5-dien-1-yl)-N-methylcarbonimidoyl]penta-1,3-dienyl]imino-N,N-dimethylprop-1-en-1-amine

C23H33N3 — CID 134594420

About (Z)-3-[(1Z,3Z)-2-ethenyl-3-[C-(2-ethyl-5-methylcyclohexa-1,5-dien-1-yl)-N-methylcarbonimidoyl]penta-1,3-dienyl]imino-N,N-dimethylprop-1-en-1-amine

(Z)-3-[(1Z,3Z)-2-ethenyl-3-[C-(2-ethyl-5-methylcyclohexa-1,5-dien-1-yl)-N-methylcarbonimidoyl]penta-1,3-dienyl]imino-N,N-dimethylprop-1-en-1-amine (PubChem CID 134594420) has the molecular formula C23H33N3 and a molecular weight of 351.54 g/mol. Its IUPAC name is (Z)-3-[(1Z,3Z)-2-ethenyl-3-[C-(2-ethyl-5-methylcyclohexa-1,5-dien-1-yl)-N-methylcarbonimidoyl]penta-1,3-dienyl]imino-N,N-dimethylprop-1-en-1-amine.

Molecular Properties

• Compound Name: (Z)-3-[(1Z,3Z)-2-ethenyl-3-[C-(2-ethyl-5-methylcyclohexa-1,5-dien-1-yl)-N-methylcarbonimidoyl]penta-1,3-dienyl]imino-N,N-dimethylprop-1-en-1-amine
• PubChem CID: 134594420
• Molecular Formula: C23H33N3
• Molecular Weight: 351.54 g/mol
• Exact Mass: 351.27
• IUPAC Name: (Z)-3-[(1Z,3Z)-2-ethenyl-3-[C-(2-ethyl-5-methylcyclohexa-1,5-dien-1-yl)-N-methylcarbonimidoyl]penta-1,3-dienyl]imino-N,N-dimethylprop-1-en-1-amine
• SMILES: C=CC(=C/N=C/C=C\N(C)C)/C(=C/C)C(=N\C)/C1=C(CC)CCC(C)=C1
• InChI: InChI=1S/C23H33N3/c1-8-19-13-12-18(4)16-22(19)23(24-5)21(10-3)20(9-2)17-25-14-11-15-26(6)7/h9-11,14-17H,2,8,12-13H2,1,3-7H3/b15-11-,20-17-,21-10-,24-23+,25-14+
• InChIKey: AKWQITPPMQIXIB-GYHVLUBQSA-N
• XLogP: 5.67
• TPSA: 27.96 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	351.54
LogP ≤ 5	5.67
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (Z)-3-[(1Z,3Z)-2-ethenyl-3-[C-(2-ethyl-5-methylcyclohexa-1,5-dien-1-yl)-N-methylcarbonimidoyl]penta-1,3-dienyl]imino-N,N-dimethylprop-1-en-1-amine?

The IUPAC name of (Z)-3-[(1Z,3Z)-2-ethenyl-3-[C-(2-ethyl-5-methylcyclohexa-1,5-dien-1-yl)-N-methylcarbonimidoyl]penta-1,3-dienyl]imino-N,N-dimethylprop-1-en-1-amine (CID 134594420) is (Z)-3-[(1Z,3Z)-2-ethenyl-3-[C-(2-ethyl-5-methylcyclohexa-1,5-dien-1-yl)-N-methylcarbonimidoyl]penta-1,3-dienyl]imino-N,N-dimethylprop-1-en-1-amine.

What is the SMILES notation for (Z)-3-[(1Z,3Z)-2-ethenyl-3-[C-(2-ethyl-5-methylcyclohexa-1,5-dien-1-yl)-N-methylcarbonimidoyl]penta-1,3-dienyl]imino-N,N-dimethylprop-1-en-1-amine?

The canonical SMILES for (Z)-3-[(1Z,3Z)-2-ethenyl-3-[C-(2-ethyl-5-methylcyclohexa-1,5-dien-1-yl)-N-methylcarbonimidoyl]penta-1,3-dienyl]imino-N,N-dimethylprop-1-en-1-amine is C=CC(=C/N=C/C=C\N(C)C)/C(=C/C)C(=N\C)/C1=C(CC)CCC(C)=C1.

What is the InChIKey of (Z)-3-[(1Z,3Z)-2-ethenyl-3-[C-(2-ethyl-5-methylcyclohexa-1,5-dien-1-yl)-N-methylcarbonimidoyl]penta-1,3-dienyl]imino-N,N-dimethylprop-1-en-1-amine?

The InChIKey is AKWQITPPMQIXIB-GYHVLUBQSA-N. The full InChI is InChI=1S/C23H33N3/c1-8-19-13-12-18(4)16-22(19)23(24-5)21(10-3)20(9-2)17-25-14-11-15-26(6)7/h9-11,14-17H,2,8,12-13H2,1,3-7H3/b15-11-,20-17-,21-10-,24-23+,25-14+.

What are the key properties of (Z)-3-[(1Z,3Z)-2-ethenyl-3-[C-(2-ethyl-5-methylcyclohexa-1,5-dien-1-yl)-N-methylcarbonimidoyl]penta-1,3-dienyl]imino-N,N-dimethylprop-1-en-1-amine?

(Z)-3-[(1Z,3Z)-2-ethenyl-3-[C-(2-ethyl-5-methylcyclohexa-1,5-dien-1-yl)-N-methylcarbonimidoyl]penta-1,3-dienyl]imino-N,N-dimethylprop-1-en-1-amine has a molecular weight of 351.54 g/mol, XLogP of 5.67, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (Z)-3-[(1Z,3Z)-2-ethenyl-3-[C-(2-ethyl-5-methylcyclohexa-1,5-dien-1-yl)-N-methylcarbonimidoyl]penta-1,3-dienyl]imino-N,N-dimethylprop-1-en-1-amine is sourced from PubChem (CID 134594420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).