(6E)-3-ethenyl-7-methyl-8-methylidene-N-[1-(1-methyl-2-methylidene-6-prop-1-en-2-ylpyrimidin-4-yl)ethenyl]deca-3,6-dien-2-amine

C25H35N3 — CID 143345422

About (6E)-3-ethenyl-7-methyl-8-methylidene-N-[1-(1-methyl-2-methylidene-6-prop-1-en-2-ylpyrimidin-4-yl)ethenyl]deca-3,6-dien-2-amine

(6E)-3-ethenyl-7-methyl-8-methylidene-N-[1-(1-methyl-2-methylidene-6-prop-1-en-2-ylpyrimidin-4-yl)ethenyl]deca-3,6-dien-2-amine (PubChem CID 143345422) has the molecular formula C25H35N3 and a molecular weight of 377.58 g/mol. Its IUPAC name is (6E)-3-ethenyl-7-methyl-8-methylidene-N-[1-(1-methyl-2-methylidene-6-prop-1-en-2-ylpyrimidin-4-yl)ethenyl]deca-3,6-dien-2-amine.

Molecular Properties

• Compound Name: (6E)-3-ethenyl-7-methyl-8-methylidene-N-[1-(1-methyl-2-methylidene-6-prop-1-en-2-ylpyrimidin-4-yl)ethenyl]deca-3,6-dien-2-amine
• PubChem CID: 143345422
• Molecular Formula: C25H35N3
• Molecular Weight: 377.58 g/mol
• Exact Mass: 377.28
• IUPAC Name: (6E)-3-ethenyl-7-methyl-8-methylidene-N-[1-(1-methyl-2-methylidene-6-prop-1-en-2-ylpyrimidin-4-yl)ethenyl]deca-3,6-dien-2-amine
• SMILES: C=CC(=CC/C=C(\C)C(=C)CC)C(C)NC(=C)C1=NC(=C)N(C)C(C(=C)C)=C1
• InChI: InChI=1S/C25H35N3/c1-11-18(5)19(6)14-13-15-23(12-2)20(7)26-21(8)24-16-25(17(3)4)28(10)22(9)27-24/h12,14-16,20,26H,2-3,5,8-9,11,13H2,1,4,6-7,10H3/b19-14+,23-15?
• InChIKey: PPWRZHDVVCISOP-NPMICWIVSA-N
• XLogP: 6.21
• TPSA: 27.63 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 10
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	377.58
LogP ≤ 5	6.21
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (6E)-3-ethenyl-7-methyl-8-methylidene-N-[1-(1-methyl-2-methylidene-6-prop-1-en-2-ylpyrimidin-4-yl)ethenyl]deca-3,6-dien-2-amine?

The IUPAC name of (6E)-3-ethenyl-7-methyl-8-methylidene-N-[1-(1-methyl-2-methylidene-6-prop-1-en-2-ylpyrimidin-4-yl)ethenyl]deca-3,6-dien-2-amine (CID 143345422) is (6E)-3-ethenyl-7-methyl-8-methylidene-N-[1-(1-methyl-2-methylidene-6-prop-1-en-2-ylpyrimidin-4-yl)ethenyl]deca-3,6-dien-2-amine.

What is the SMILES notation for (6E)-3-ethenyl-7-methyl-8-methylidene-N-[1-(1-methyl-2-methylidene-6-prop-1-en-2-ylpyrimidin-4-yl)ethenyl]deca-3,6-dien-2-amine?

The canonical SMILES for (6E)-3-ethenyl-7-methyl-8-methylidene-N-[1-(1-methyl-2-methylidene-6-prop-1-en-2-ylpyrimidin-4-yl)ethenyl]deca-3,6-dien-2-amine is C=CC(=CC/C=C(\C)C(=C)CC)C(C)NC(=C)C1=NC(=C)N(C)C(C(=C)C)=C1.

What is the InChIKey of (6E)-3-ethenyl-7-methyl-8-methylidene-N-[1-(1-methyl-2-methylidene-6-prop-1-en-2-ylpyrimidin-4-yl)ethenyl]deca-3,6-dien-2-amine?

The InChIKey is PPWRZHDVVCISOP-NPMICWIVSA-N. The full InChI is InChI=1S/C25H35N3/c1-11-18(5)19(6)14-13-15-23(12-2)20(7)26-21(8)24-16-25(17(3)4)28(10)22(9)27-24/h12,14-16,20,26H,2-3,5,8-9,11,13H2,1,4,6-7,10H3/b19-14+,23-15?.

What are the key properties of (6E)-3-ethenyl-7-methyl-8-methylidene-N-[1-(1-methyl-2-methylidene-6-prop-1-en-2-ylpyrimidin-4-yl)ethenyl]deca-3,6-dien-2-amine?

(6E)-3-ethenyl-7-methyl-8-methylidene-N-[1-(1-methyl-2-methylidene-6-prop-1-en-2-ylpyrimidin-4-yl)ethenyl]deca-3,6-dien-2-amine has a molecular weight of 377.58 g/mol, XLogP of 6.21, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (6E)-3-ethenyl-7-methyl-8-methylidene-N-[1-(1-methyl-2-methylidene-6-prop-1-en-2-ylpyrimidin-4-yl)ethenyl]deca-3,6-dien-2-amine is sourced from PubChem (CID 143345422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).