(2E,6E,10E)-N-(2-aminoethyl)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenamide

C22H38N2O — CID 21297891

IUPAC(2E,6E,10E)-N-(2-aminoethyl)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenamide
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/C(=O)NCCN
InChIInChI=1S/C22H38N2O/c1-18(2)9-6-10-19(3)11-7-12-20(4)13-8-14-21(5)17-22(25)24-16-15-23/h9,11,13,17H,6-8,10,12,14-16,23H2,1-5H3,(H,24,25)/b19-11+,20-13+,21-17+
InChIKeyCRKFPKYMLCNGDJ-FPSROUMGSA-N
MW346.56 g/mol
LogP5.21
Rot. Bonds12

About (2E,6E,10E)-N-(2-aminoethyl)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenamide

(2E,6E,10E)-N-(2-aminoethyl)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenamide (PubChem CID 21297891) has the molecular formula C22H38N2O and a molecular weight of 346.56 g/mol. Its IUPAC name is (2E,6E,10E)-N-(2-aminoethyl)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenamide.

Molecular Properties

Compound Name(2E,6E,10E)-N-(2-aminoethyl)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenamide
PubChem CID21297891
Molecular FormulaC22H38N2O
Molecular Weight346.56 g/mol
Exact Mass346.30
IUPAC Name(2E,6E,10E)-N-(2-aminoethyl)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenamide
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/C(=O)NCCN
InChIInChI=1S/C22H38N2O/c1-18(2)9-6-10-19(3)11-7-12-20(4)13-8-14-21(5)17-22(25)24-16-15-23/h9,11,13,17H,6-8,10,12,14-16,23H2,1-5H3,(H,24,25)/b19-11+,20-13+,21-17+
InChIKeyCRKFPKYMLCNGDJ-FPSROUMGSA-N
XLogP5.21
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.56
LogP ≤ 55.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (2E,6E,10E)-N-(2-aminoethyl)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenamide with MolForge

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Related Compounds

3,7,11-Trimethyldodeca-2,6,10-trienoic acid hexadecylamide
CID 73072469
3-aminopropyl-[4-[dimethyl-[3-[[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoyl]amino]propyl]azaniumyl]butyl]-dimethylazanium
CID 10009494
4-(dimethylamino)butyl-dimethyl-[3-[[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoyl]amino]propyl]azanium
CID 166627509
4-[dimethyl-[3-[[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoyl]amino]propyl]azaniumyl]butyl-dimethyl-[3-[[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoyl]amino]propyl]azanium
CID 166629677
3-acetamidopropyl-[4-[dimethyl-[3-[[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoyl]amino]propyl]azaniumyl]butyl]-dimethylazanium
CID 166631158
(2E,6E)-N,3,7,11-tetramethyldodeca-2,6,10-trienamide
CID 5275516
(2E)-N-(3-aminopropyl)-3,7-dimethylocta-2,6-dienamide
CID 60168428
(2E)-N-[3-[4-(3-aminopropyl)piperazin-1-yl]propyl]-3,7-dimethylocta-2,6-dienamide
CID 60168612
(2E)-N-[3-(3-aminopropylamino)propyl]-3,7-dimethylocta-2,6-dienamide
CID 60168613
(2E)-N-[2-[2-(2-aminoethylamino)ethylamino]ethyl]-3,7-dimethylocta-2,6-dienamide
CID 60168614
(2E)-N-[3-[bis(3-aminopropyl)amino]propyl]-3,7-dimethylocta-2,6-dienamide
CID 60168615
(2E)-N-[3-[4-(3-aminopropylamino)butylamino]propyl]-3,7-dimethylocta-2,6-dienamide
CID 60168616

Frequently Asked Questions

What is the IUPAC name of (2E,6E,10E)-N-(2-aminoethyl)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenamide?
The IUPAC name of (2E,6E,10E)-N-(2-aminoethyl)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenamide (CID 21297891) is (2E,6E,10E)-N-(2-aminoethyl)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenamide.
What is the SMILES notation for (2E,6E,10E)-N-(2-aminoethyl)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenamide?
The canonical SMILES for (2E,6E,10E)-N-(2-aminoethyl)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenamide is CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/C(=O)NCCN.
What is the InChIKey of (2E,6E,10E)-N-(2-aminoethyl)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenamide?
The InChIKey is CRKFPKYMLCNGDJ-FPSROUMGSA-N. The full InChI is InChI=1S/C22H38N2O/c1-18(2)9-6-10-19(3)11-7-12-20(4)13-8-14-21(5)17-22(25)24-16-15-23/h9,11,13,17H,6-8,10,12,14-16,23H2,1-5H3,(H,24,25)/b19-11+,20-13+,21-17+.
What are the key properties of (2E,6E,10E)-N-(2-aminoethyl)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenamide?
(2E,6E,10E)-N-(2-aminoethyl)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenamide has a molecular weight of 346.56 g/mol, XLogP of 5.21, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,6E,10E)-N-(2-aminoethyl)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenamide is sourced from PubChem (CID 21297891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).