7-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]purin-6-amine

C25H37N5 — CID 16730266

IUPAC7-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]purin-6-amine
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/Cn1cnc2ncnc(N)c21
InChIInChI=1S/C25H37N5/c1-19(2)9-6-10-20(3)11-7-12-21(4)13-8-14-22(5)15-16-30-18-29-25-23(30)24(26)27-17-28-25/h9,11,13,15,17-18H,6-8,10,12,14,16H2,1-5H3,(H2,26,27,28)/b20-11+,21-13+,22-15+
InChIKeyARJRLRARWXKVPD-FLPKSHQQSA-N
MW407.61 g/mol
LogP6.55
Rot. Bonds11

About 7-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]purin-6-amine

7-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]purin-6-amine (PubChem CID 16730266) has the molecular formula C25H37N5 and a molecular weight of 407.61 g/mol. Its IUPAC name is 7-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]purin-6-amine.

Molecular Properties

Compound Name7-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]purin-6-amine
PubChem CID16730266
Molecular FormulaC25H37N5
Molecular Weight407.61 g/mol
Exact Mass407.30
IUPAC Name7-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]purin-6-amine
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/Cn1cnc2ncnc(N)c21
InChIInChI=1S/C25H37N5/c1-19(2)9-6-10-20(3)11-7-12-21(4)13-8-14-22(5)15-16-30-18-29-25-23(30)24(26)27-17-28-25/h9,11,13,15,17-18H,6-8,10,12,14,16H2,1-5H3,(H2,26,27,28)/b20-11+,21-13+,22-15+
InChIKeyARJRLRARWXKVPD-FLPKSHQQSA-N
XLogP6.55
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.61
LogP ≤ 56.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]purin-6-amine?
The IUPAC name of 7-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]purin-6-amine (CID 16730266) is 7-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]purin-6-amine.
What is the SMILES notation for 7-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]purin-6-amine?
The canonical SMILES for 7-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]purin-6-amine is CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/Cn1cnc2ncnc(N)c21.
What is the InChIKey of 7-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]purin-6-amine?
The InChIKey is ARJRLRARWXKVPD-FLPKSHQQSA-N. The full InChI is InChI=1S/C25H37N5/c1-19(2)9-6-10-20(3)11-7-12-21(4)13-8-14-22(5)15-16-30-18-29-25-23(30)24(26)27-17-28-25/h9,11,13,15,17-18H,6-8,10,12,14,16H2,1-5H3,(H2,26,27,28)/b20-11+,21-13+,22-15+.
What are the key properties of 7-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]purin-6-amine?
7-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]purin-6-amine has a molecular weight of 407.61 g/mol, XLogP of 6.55, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]purin-6-amine is sourced from PubChem (CID 16730266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).