ethene;(6E)-2-ethenyl-7-ethyl-N-[1-(1-methyl-2-propan-2-ylidene-6-prop-1-en-2-ylpyrimidin-4-yl)ethenyl]deca-3,6-dien-1-amine

C29H45N3 — CID 143341978

About ethene;(6E)-2-ethenyl-7-ethyl-N-[1-(1-methyl-2-propan-2-ylidene-6-prop-1-en-2-ylpyrimidin-4-yl)ethenyl]deca-3,6-dien-1-amine

ethene;(6E)-2-ethenyl-7-ethyl-N-[1-(1-methyl-2-propan-2-ylidene-6-prop-1-en-2-ylpyrimidin-4-yl)ethenyl]deca-3,6-dien-1-amine (PubChem CID 143341978) has the molecular formula C29H45N3 and a molecular weight of 435.70 g/mol. Its IUPAC name is ethene;(6E)-2-ethenyl-7-ethyl-N-[1-(1-methyl-2-propan-2-ylidene-6-prop-1-en-2-ylpyrimidin-4-yl)ethenyl]deca-3,6-dien-1-amine.

Molecular Properties

• Compound Name: ethene;(6E)-2-ethenyl-7-ethyl-N-[1-(1-methyl-2-propan-2-ylidene-6-prop-1-en-2-ylpyrimidin-4-yl)ethenyl]deca-3,6-dien-1-amine
• PubChem CID: 143341978
• Molecular Formula: C29H45N3
• Molecular Weight: 435.70 g/mol
• Exact Mass: 435.36
• IUPAC Name: ethene;(6E)-2-ethenyl-7-ethyl-N-[1-(1-methyl-2-propan-2-ylidene-6-prop-1-en-2-ylpyrimidin-4-yl)ethenyl]deca-3,6-dien-1-amine
• SMILES: C=C.C=CC(C=CC/C=C(\CC)CCC)CNC(=C)C1=NC(=C(C)C)N(C)C(C(=C)C)=C1
• InChI: InChI=1S/C27H41N3.C2H4/c1-10-15-23(11-2)16-13-14-17-24(12-3)19-28-22(8)25-18-26(20(4)5)30(9)27(29-25)21(6)7;1-2/h12,14,16-18,24,28H,3-4,8,10-11,13,15,19H2,1-2,5-7,9H3;1-2H2/b17-14?,23-16+
• InChIKey: WOFCRHDHYJASDM-REDFWRKHSA-N
• XLogP: 7.87
• TPSA: 27.63 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 12
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	435.70
LogP ≤ 5	7.87
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of ethene;(6E)-2-ethenyl-7-ethyl-N-[1-(1-methyl-2-propan-2-ylidene-6-prop-1-en-2-ylpyrimidin-4-yl)ethenyl]deca-3,6-dien-1-amine (CID 143341978) is ethene;(6E)-2-ethenyl-7-ethyl-N-[1-(1-methyl-2-propan-2-ylidene-6-prop-1-en-2-ylpyrimidin-4-yl)ethenyl]deca-3,6-dien-1-amine.

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

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

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

The InChIKey is WOFCRHDHYJASDM-REDFWRKHSA-N. The full InChI is InChI=1S/C27H41N3.C2H4/c1-10-15-23(11-2)16-13-14-17-24(12-3)19-28-22(8)25-18-26(20(4)5)30(9)27(29-25)21(6)7;1-2/h12,14,16-18,24,28H,3-4,8,10-11,13,15,19H2,1-2,5-7,9H3;1-2H2/b17-14?,23-16+;.

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

ethene;(6E)-2-ethenyl-7-ethyl-N-[1-(1-methyl-2-propan-2-ylidene-6-prop-1-en-2-ylpyrimidin-4-yl)ethenyl]deca-3,6-dien-1-amine has a molecular weight of 435.70 g/mol, XLogP of 7.87, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for ethene;(6E)-2-ethenyl-7-ethyl-N-[1-(1-methyl-2-propan-2-ylidene-6-prop-1-en-2-ylpyrimidin-4-yl)ethenyl]deca-3,6-dien-1-amine is sourced from PubChem (CID 143341978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).