(2E,6E)-3,7,11-trimethyl-N-[(5E)-2,6,10-trimethylundeca-5,9-dienyl]dodeca-2,6,10-trien-1-amine

C29H51N — CID 10431909

IUPAC(2E,6E)-3,7,11-trimethyl-N-[(5E)-2,6,10-trimethylundeca-5,9-dienyl]dodeca-2,6,10-trien-1-amine
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/CNCC(C)CC/C=C(\C)CCC=C(C)C
InChIInChI=1S/C29H51N/c1-24(2)13-9-15-26(5)17-11-19-28(7)21-22-30-23-29(8)20-12-18-27(6)16-10-14-25(3)4/h13-14,17-18,21,29-30H,9-12,15-16,19-20,22-23H2,1-8H3/b26-17+,27-18+,28-21+
InChIKeyFJTBCGHISSWGME-BOHMWCSOSA-N
MW413.73 g/mol
LogP9.10
Rot. Bonds16

About (2E,6E)-3,7,11-trimethyl-N-[(5E)-2,6,10-trimethylundeca-5,9-dienyl]dodeca-2,6,10-trien-1-amine

(2E,6E)-3,7,11-trimethyl-N-[(5E)-2,6,10-trimethylundeca-5,9-dienyl]dodeca-2,6,10-trien-1-amine (PubChem CID 10431909) has the molecular formula C29H51N and a molecular weight of 413.73 g/mol. Its IUPAC name is (2E,6E)-3,7,11-trimethyl-N-[(5E)-2,6,10-trimethylundeca-5,9-dienyl]dodeca-2,6,10-trien-1-amine.

Molecular Properties

Compound Name(2E,6E)-3,7,11-trimethyl-N-[(5E)-2,6,10-trimethylundeca-5,9-dienyl]dodeca-2,6,10-trien-1-amine
PubChem CID10431909
Molecular FormulaC29H51N
Molecular Weight413.73 g/mol
Exact Mass413.40
IUPAC Name(2E,6E)-3,7,11-trimethyl-N-[(5E)-2,6,10-trimethylundeca-5,9-dienyl]dodeca-2,6,10-trien-1-amine
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/CNCC(C)CC/C=C(\C)CCC=C(C)C
InChIInChI=1S/C29H51N/c1-24(2)13-9-15-26(5)17-11-19-28(7)21-22-30-23-29(8)20-12-18-27(6)16-10-14-25(3)4/h13-14,17-18,21,29-30H,9-12,15-16,19-20,22-23H2,1-8H3/b26-17+,27-18+,28-21+
InChIKeyFJTBCGHISSWGME-BOHMWCSOSA-N
XLogP9.10
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.73
LogP ≤ 59.10
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-[(5E)-2,6,10-trimethylundeca-5,9-dienyl]dodeca-2,6,10-trien-1-amine with MolForge

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Launch Full Analysis

Related Compounds

3,7,11,15,19,23,27,31,35,39,43,47,51,55,59,63,67,71,75,79,83,87,91-tricosamethyldononaconta-6,10,14,18,22,26,30,34,38,42,46,50,54,58,62,66,70,74,78,82,86,90-docosaen-1-ol
CID 139698175
(6Z,10Z,14Z,18Z,22Z,26Z,30Z,34Z,38E,42E)-3,7,11,15,19,23,27,31,35,39,43,47-dodecamethyloctatetraconta-6,10,14,18,22,26,30,34,38,42,46-undecaen-1-ol
CID 91820232
3,7,11,15,19,23,27,31,35,39,43,47,51,55,59,63,67,71,75,79,83,87-docosamethyloctaoctaconta-6,10,14,18,22,26,30,34,38,42,46,50,54,58,62,66,70,74,78,82,86-henicosaen-1-ol
CID 139698181
(6E,10E,14E,18E,22E,26Z,30E,34E,38E,42E,46Z,50E,54E,58E,62E,66E,70E,74Z)-3,7,11,15,19,23,27,31,35,39,43,47,51,55,59,63,67,71,75,79-icosamethyloctaconta-6,10,14,18,22,26,30,34,38,42,46,50,54,58,62,66,70,74,78-nonadecaen-1-ol
CID 11818896
N,2,6-trimethylhept-5-en-1-amine
CID 146817482
(2E,6E,11S)-3,7,11,15-tetramethylhexadeca-2,6,14-trien-1-ol
CID 122388579
3-(diethylamino)-4-(3,7,11-trimethyldodeca-2,6,10-trienylamino)butan-2-one
CID 54365770
(6Z,10Z,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 24871318
(10E)-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraene
CID 173158415
(14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 131954652
2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 173324782
(6E,10E,14E)-2,6,10,15,18-pentamethylnonadeca-2,6,10,14-tetraene
CID 58369783

Frequently Asked Questions

What is the IUPAC name of (2E,6E)-3,7,11-trimethyl-N-[(5E)-2,6,10-trimethylundeca-5,9-dienyl]dodeca-2,6,10-trien-1-amine?
The IUPAC name of (2E,6E)-3,7,11-trimethyl-N-[(5E)-2,6,10-trimethylundeca-5,9-dienyl]dodeca-2,6,10-trien-1-amine (CID 10431909) is (2E,6E)-3,7,11-trimethyl-N-[(5E)-2,6,10-trimethylundeca-5,9-dienyl]dodeca-2,6,10-trien-1-amine.
What is the SMILES notation for (2E,6E)-3,7,11-trimethyl-N-[(5E)-2,6,10-trimethylundeca-5,9-dienyl]dodeca-2,6,10-trien-1-amine?
The canonical SMILES for (2E,6E)-3,7,11-trimethyl-N-[(5E)-2,6,10-trimethylundeca-5,9-dienyl]dodeca-2,6,10-trien-1-amine is CC(C)=CCC/C(C)=C/CC/C(C)=C/CNCC(C)CC/C=C(\C)CCC=C(C)C.
What is the InChIKey of (2E,6E)-3,7,11-trimethyl-N-[(5E)-2,6,10-trimethylundeca-5,9-dienyl]dodeca-2,6,10-trien-1-amine?
The InChIKey is FJTBCGHISSWGME-BOHMWCSOSA-N. The full InChI is InChI=1S/C29H51N/c1-24(2)13-9-15-26(5)17-11-19-28(7)21-22-30-23-29(8)20-12-18-27(6)16-10-14-25(3)4/h13-14,17-18,21,29-30H,9-12,15-16,19-20,22-23H2,1-8H3/b26-17+,27-18+,28-21+.
What are the key properties of (2E,6E)-3,7,11-trimethyl-N-[(5E)-2,6,10-trimethylundeca-5,9-dienyl]dodeca-2,6,10-trien-1-amine?
(2E,6E)-3,7,11-trimethyl-N-[(5E)-2,6,10-trimethylundeca-5,9-dienyl]dodeca-2,6,10-trien-1-amine has a molecular weight of 413.73 g/mol, XLogP of 9.10, 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-[(5E)-2,6,10-trimethylundeca-5,9-dienyl]dodeca-2,6,10-trien-1-amine is sourced from PubChem (CID 10431909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).