(2E,6E)-3,7,11-trimethyl-N-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]dodeca-2,6,10-trien-1-amine

C30H51N — CID 10432557

IUPAC(2E,6E)-3,7,11-trimethyl-N-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]dodeca-2,6,10-trien-1-amine
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/CNC/C=C(\C)CC/C=C(\C)CCC=C(C)C
InChIInChI=1S/C30H51N/c1-25(2)13-9-15-27(5)17-11-19-29(7)21-23-31-24-22-30(8)20-12-18-28(6)16-10-14-26(3)4/h13-14,17-18,21-22,31H,9-12,15-16,19-20,23-24H2,1-8H3/b27-17+,28-18+,29-21+,30-22+
InChIKeyLNDDHAFOQVYLQD-SBEKHEBASA-N
MW425.75 g/mol
LogP9.41
Rot. Bonds16

About (2E,6E)-3,7,11-trimethyl-N-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]dodeca-2,6,10-trien-1-amine

(2E,6E)-3,7,11-trimethyl-N-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]dodeca-2,6,10-trien-1-amine (PubChem CID 10432557) has the molecular formula C30H51N and a molecular weight of 425.75 g/mol. Its IUPAC name is (2E,6E)-3,7,11-trimethyl-N-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]dodeca-2,6,10-trien-1-amine.

Molecular Properties

Compound Name(2E,6E)-3,7,11-trimethyl-N-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]dodeca-2,6,10-trien-1-amine
PubChem CID10432557
Molecular FormulaC30H51N
Molecular Weight425.75 g/mol
Exact Mass425.40
IUPAC Name(2E,6E)-3,7,11-trimethyl-N-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]dodeca-2,6,10-trien-1-amine
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/CNC/C=C(\C)CC/C=C(\C)CCC=C(C)C
InChIInChI=1S/C30H51N/c1-25(2)13-9-15-27(5)17-11-19-29(7)21-23-31-24-22-30(8)20-12-18-28(6)16-10-14-26(3)4/h13-14,17-18,21-22,31H,9-12,15-16,19-20,23-24H2,1-8H3/b27-17+,28-18+,29-21+,30-22+
InChIKeyLNDDHAFOQVYLQD-SBEKHEBASA-N
XLogP9.41
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.75
LogP ≤ 59.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2E,6E)-3,7,11-trimethyl-N-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]dodeca-2,6,10-trien-1-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2E,6E)-3,7,11-trimethyl-N-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]dodeca-2,6,10-trien-1-amine?
The IUPAC name of (2E,6E)-3,7,11-trimethyl-N-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]dodeca-2,6,10-trien-1-amine (CID 10432557) is (2E,6E)-3,7,11-trimethyl-N-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]dodeca-2,6,10-trien-1-amine.
What is the SMILES notation for (2E,6E)-3,7,11-trimethyl-N-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]dodeca-2,6,10-trien-1-amine?
The canonical SMILES for (2E,6E)-3,7,11-trimethyl-N-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]dodeca-2,6,10-trien-1-amine is CC(C)=CCC/C(C)=C/CC/C(C)=C/CNC/C=C(\C)CC/C=C(\C)CCC=C(C)C.
What is the InChIKey of (2E,6E)-3,7,11-trimethyl-N-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]dodeca-2,6,10-trien-1-amine?
The InChIKey is LNDDHAFOQVYLQD-SBEKHEBASA-N. The full InChI is InChI=1S/C30H51N/c1-25(2)13-9-15-27(5)17-11-19-29(7)21-23-31-24-22-30(8)20-12-18-28(6)16-10-14-26(3)4/h13-14,17-18,21-22,31H,9-12,15-16,19-20,23-24H2,1-8H3/b27-17+,28-18+,29-21+,30-22+.
What are the key properties of (2E,6E)-3,7,11-trimethyl-N-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]dodeca-2,6,10-trien-1-amine?
(2E,6E)-3,7,11-trimethyl-N-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]dodeca-2,6,10-trien-1-amine has a molecular weight of 425.75 g/mol, XLogP of 9.41, 16 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,6E)-3,7,11-trimethyl-N-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]dodeca-2,6,10-trien-1-amine is sourced from PubChem (CID 10432557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).