(2E,5E)-N-[(3Z)-4-[[(Z)-but-2-enylidene]amino]-3-ethenylpenta-1,3-dien-2-yl]-6-methyl-4-methylidene-5-prop-1-en-2-ylocta-2,5-dien-3-amine

C24H34N2 — CID 134594270

About (2E,5E)-N-[(3Z)-4-[[(Z)-but-2-enylidene]amino]-3-ethenylpenta-1,3-dien-2-yl]-6-methyl-4-methylidene-5-prop-1-en-2-ylocta-2,5-dien-3-amine

(2E,5E)-N-[(3Z)-4-[[(Z)-but-2-enylidene]amino]-3-ethenylpenta-1,3-dien-2-yl]-6-methyl-4-methylidene-5-prop-1-en-2-ylocta-2,5-dien-3-amine (PubChem CID 134594270) has the molecular formula C24H34N2 and a molecular weight of 350.55 g/mol. Its IUPAC name is (2E,5E)-N-[(3Z)-4-[[(Z)-but-2-enylidene]amino]-3-ethenylpenta-1,3-dien-2-yl]-6-methyl-4-methylidene-5-prop-1-en-2-ylocta-2,5-dien-3-amine.

Molecular Properties

• Compound Name: (2E,5E)-N-[(3Z)-4-[[(Z)-but-2-enylidene]amino]-3-ethenylpenta-1,3-dien-2-yl]-6-methyl-4-methylidene-5-prop-1-en-2-ylocta-2,5-dien-3-amine
• PubChem CID: 134594270
• Molecular Formula: C24H34N2
• Molecular Weight: 350.55 g/mol
• Exact Mass: 350.27
• IUPAC Name: (2E,5E)-N-[(3Z)-4-[[(Z)-but-2-enylidene]amino]-3-ethenylpenta-1,3-dien-2-yl]-6-methyl-4-methylidene-5-prop-1-en-2-ylocta-2,5-dien-3-amine
• SMILES: C=C/C(C(=C)N/C(=C/C)C(=C)/C(C(=C)C)=C(\C)CC)=C(C)/N=C/C=C\C
• InChI: InChI=1S/C24H34N2/c1-11-15-16-25-20(9)22(13-3)21(10)26-23(14-4)19(8)24(17(5)6)18(7)12-2/h11,13-16,26H,3,5,8,10,12H2,1-2,4,6-7,9H3/b15-11-,22-20-,23-14+,24-18+,25-16+
• InChIKey: GZNATYOAIYQXQM-WYGUYVIESA-N
• XLogP: 6.96
• TPSA: 24.39 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 10
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	350.55
LogP ≤ 5	6.96
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

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 (2E,5E)-N-[(3Z)-4-[[(Z)-but-2-enylidene]amino]-3-ethenylpenta-1,3-dien-2-yl]-6-methyl-4-methylidene-5-prop-1-en-2-ylocta-2,5-dien-3-amine?

The IUPAC name of (2E,5E)-N-[(3Z)-4-[[(Z)-but-2-enylidene]amino]-3-ethenylpenta-1,3-dien-2-yl]-6-methyl-4-methylidene-5-prop-1-en-2-ylocta-2,5-dien-3-amine (CID 134594270) is (2E,5E)-N-[(3Z)-4-[[(Z)-but-2-enylidene]amino]-3-ethenylpenta-1,3-dien-2-yl]-6-methyl-4-methylidene-5-prop-1-en-2-ylocta-2,5-dien-3-amine.

What is the SMILES notation for (2E,5E)-N-[(3Z)-4-[[(Z)-but-2-enylidene]amino]-3-ethenylpenta-1,3-dien-2-yl]-6-methyl-4-methylidene-5-prop-1-en-2-ylocta-2,5-dien-3-amine?

The canonical SMILES for (2E,5E)-N-[(3Z)-4-[[(Z)-but-2-enylidene]amino]-3-ethenylpenta-1,3-dien-2-yl]-6-methyl-4-methylidene-5-prop-1-en-2-ylocta-2,5-dien-3-amine is C=C/C(C(=C)N/C(=C/C)C(=C)/C(C(=C)C)=C(\C)CC)=C(C)/N=C/C=C\C.

What is the InChIKey of (2E,5E)-N-[(3Z)-4-[[(Z)-but-2-enylidene]amino]-3-ethenylpenta-1,3-dien-2-yl]-6-methyl-4-methylidene-5-prop-1-en-2-ylocta-2,5-dien-3-amine?

The InChIKey is GZNATYOAIYQXQM-WYGUYVIESA-N. The full InChI is InChI=1S/C24H34N2/c1-11-15-16-25-20(9)22(13-3)21(10)26-23(14-4)19(8)24(17(5)6)18(7)12-2/h11,13-16,26H,3,5,8,10,12H2,1-2,4,6-7,9H3/b15-11-,22-20-,23-14+,24-18+,25-16+.

What are the key properties of (2E,5E)-N-[(3Z)-4-[[(Z)-but-2-enylidene]amino]-3-ethenylpenta-1,3-dien-2-yl]-6-methyl-4-methylidene-5-prop-1-en-2-ylocta-2,5-dien-3-amine?

(2E,5E)-N-[(3Z)-4-[[(Z)-but-2-enylidene]amino]-3-ethenylpenta-1,3-dien-2-yl]-6-methyl-4-methylidene-5-prop-1-en-2-ylocta-2,5-dien-3-amine has a molecular weight of 350.55 g/mol, XLogP of 6.96, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (2E,5E)-N-[(3Z)-4-[[(Z)-but-2-enylidene]amino]-3-ethenylpenta-1,3-dien-2-yl]-6-methyl-4-methylidene-5-prop-1-en-2-ylocta-2,5-dien-3-amine is sourced from PubChem (CID 134594270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).