(2E,6E,10E)-N-[2-[1-[3-(diaminomethylideneamino)propyl]-3-methylimidazol-1-ium-4-yl]ethyl]-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenamide

C30H51N6O+ — CID 10346263

IUPAC(2E,6E,10E)-N-[2-[1-[3-(diaminomethylideneamino)propyl]-3-methylimidazol-1-ium-4-yl]ethyl]-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)NCCc1c[n+](CCCN=C(N)N)cn1C
InChIInChI=1S/C30H50N6O/c1-24(2)11-7-12-25(3)13-8-14-26(4)15-9-16-27(5)21-29(37)33-19-17-28-22-36(23-35(28)6)20-10-18-34-30(31)32/h11,13,15,21-23H,7-10,12,14,16-20H2,1-6H3,(H4-,31,32,33,34,37)/p+1/b25-13+,26-15+,27-21+
InChIKeyPIIGMTHEAJODFF-LJPVGTDHSA-O
MW511.78 g/mol
LogP4.78
Rot. Bonds17

About (2E,6E,10E)-N-[2-[1-[3-(diaminomethylideneamino)propyl]-3-methylimidazol-1-ium-4-yl]ethyl]-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenamide

(2E,6E,10E)-N-[2-[1-[3-(diaminomethylideneamino)propyl]-3-methylimidazol-1-ium-4-yl]ethyl]-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenamide (PubChem CID 10346263) has the molecular formula C30H51N6O+ and a molecular weight of 511.78 g/mol. Its IUPAC name is (2E,6E,10E)-N-[2-[1-[3-(diaminomethylideneamino)propyl]-3-methylimidazol-1-ium-4-yl]ethyl]-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenamide.

Molecular Properties

Compound Name(2E,6E,10E)-N-[2-[1-[3-(diaminomethylideneamino)propyl]-3-methylimidazol-1-ium-4-yl]ethyl]-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenamide
PubChem CID10346263
Molecular FormulaC30H51N6O+
Molecular Weight511.78 g/mol
Exact Mass511.41
IUPAC Name(2E,6E,10E)-N-[2-[1-[3-(diaminomethylideneamino)propyl]-3-methylimidazol-1-ium-4-yl]ethyl]-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)NCCc1c[n+](CCCN=C(N)N)cn1C
InChIInChI=1S/C30H50N6O/c1-24(2)11-7-12-25(3)13-8-14-26(4)15-9-16-27(5)21-29(37)33-19-17-28-22-36(23-35(28)6)20-10-18-34-30(31)32/h11,13,15,21-23H,7-10,12,14,16-20H2,1-6H3,(H4-,31,32,33,34,37)/p+1/b25-13+,26-15+,27-21+
InChIKeyPIIGMTHEAJODFF-LJPVGTDHSA-O
XLogP4.78
TPSA102.31 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.78
LogP ≤ 54.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (2E,6E,10E)-N-[2-[1-[3-(diaminomethylideneamino)propyl]-3-methylimidazol-1-ium-4-yl]ethyl]-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2E,6E,10E)-N-[2-[1-[3-(diaminomethylideneamino)propyl]-3-methylimidazol-1-ium-4-yl]ethyl]-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenamide?
The IUPAC name of (2E,6E,10E)-N-[2-[1-[3-(diaminomethylideneamino)propyl]-3-methylimidazol-1-ium-4-yl]ethyl]-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenamide (CID 10346263) is (2E,6E,10E)-N-[2-[1-[3-(diaminomethylideneamino)propyl]-3-methylimidazol-1-ium-4-yl]ethyl]-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenamide.
What is the SMILES notation for (2E,6E,10E)-N-[2-[1-[3-(diaminomethylideneamino)propyl]-3-methylimidazol-1-ium-4-yl]ethyl]-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenamide?
The canonical SMILES for (2E,6E,10E)-N-[2-[1-[3-(diaminomethylideneamino)propyl]-3-methylimidazol-1-ium-4-yl]ethyl]-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)NCCc1c[n+](CCCN=C(N)N)cn1C.
What is the InChIKey of (2E,6E,10E)-N-[2-[1-[3-(diaminomethylideneamino)propyl]-3-methylimidazol-1-ium-4-yl]ethyl]-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenamide?
The InChIKey is PIIGMTHEAJODFF-LJPVGTDHSA-O. The full InChI is InChI=1S/C30H50N6O/c1-24(2)11-7-12-25(3)13-8-14-26(4)15-9-16-27(5)21-29(37)33-19-17-28-22-36(23-35(28)6)20-10-18-34-30(31)32/h11,13,15,21-23H,7-10,12,14,16-20H2,1-6H3,(H4-,31,32,33,34,37)/p+1/b25-13+,26-15+,27-21+.
What are the key properties of (2E,6E,10E)-N-[2-[1-[3-(diaminomethylideneamino)propyl]-3-methylimidazol-1-ium-4-yl]ethyl]-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenamide?
(2E,6E,10E)-N-[2-[1-[3-(diaminomethylideneamino)propyl]-3-methylimidazol-1-ium-4-yl]ethyl]-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenamide has a molecular weight of 511.78 g/mol, XLogP of 4.78, 17 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,6E,10E)-N-[2-[1-[3-(diaminomethylideneamino)propyl]-3-methylimidazol-1-ium-4-yl]ethyl]-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenamide is sourced from PubChem (CID 10346263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).