N-[1-(1-ethyl-2-hept-6-enyl-4,5-dihydroimidazol-1-ium-1-yl)ethyl]acetamide

C16H30N3O+ — CID 101330855

IUPACN-[1-(1-ethyl-2-hept-6-enyl-4,5-dihydroimidazol-1-ium-1-yl)ethyl]acetamide
SMILESC=CCCCCCC1=NCC[N+]1(CC)C(C)NC(C)=O
InChIInChI=1S/C16H29N3O/c1-5-7-8-9-10-11-16-17-12-13-19(16,6-2)14(3)18-15(4)20/h5,14H,1,6-13H2,2-4H3/p+1
InChIKeyGNYNKXMCZDFFBF-UHFFFAOYSA-O
MW280.44 g/mol
LogP2.85
Rot. Bonds9

About N-[1-(1-ethyl-2-hept-6-enyl-4,5-dihydroimidazol-1-ium-1-yl)ethyl]acetamide

N-[1-(1-ethyl-2-hept-6-enyl-4,5-dihydroimidazol-1-ium-1-yl)ethyl]acetamide (PubChem CID 101330855) has the molecular formula C16H30N3O+ and a molecular weight of 280.44 g/mol. Its IUPAC name is N-[1-(1-ethyl-2-hept-6-enyl-4,5-dihydroimidazol-1-ium-1-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-[1-(1-ethyl-2-hept-6-enyl-4,5-dihydroimidazol-1-ium-1-yl)ethyl]acetamide
PubChem CID101330855
Molecular FormulaC16H30N3O+
Molecular Weight280.44 g/mol
Exact Mass280.24
IUPAC NameN-[1-(1-ethyl-2-hept-6-enyl-4,5-dihydroimidazol-1-ium-1-yl)ethyl]acetamide
SMILESC=CCCCCCC1=NCC[N+]1(CC)C(C)NC(C)=O
InChIInChI=1S/C16H29N3O/c1-5-7-8-9-10-11-16-17-12-13-19(16,6-2)14(3)18-15(4)20/h5,14H,1,6-13H2,2-4H3/p+1
InChIKeyGNYNKXMCZDFFBF-UHFFFAOYSA-O
XLogP2.85
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

N-[1-[1-ethyl-2-[(E)-tetradec-5-enyl]-4,5-dihydroimidazol-1-ium-1-yl]ethyl]acetamide
CID 101331232
N-[1-[1-ethyl-2-[(E)-pentadec-13-enyl]-4,5-dihydroimidazol-1-ium-1-yl]ethyl]acetamide
CID 101331318
N-[1-[1-ethyl-2-[(E)-icos-13-enyl]-4,5-dihydroimidazol-1-ium-1-yl]ethyl]acetamide
CID 101331798
N-[1-[1-ethyl-2-[(E)-heptadec-9-enyl]-4,5-dihydroimidazol-1-ium-1-yl]ethyl]acetamide
CID 101331488
N-[1-[1-ethyl-2-[(E)-hexadec-6-enyl]-4,5-dihydroimidazol-1-ium-1-yl]ethyl]acetamide
CID 101331395
N-[1-[1-ethyl-2-[(E)-octadec-14-enyl]-4,5-dihydroimidazol-1-ium-1-yl]ethyl]acetamide
CID 101331589
N-[1-[2-[(E)-dodec-7-enyl]-1-ethyl-4,5-dihydroimidazol-1-ium-1-yl]ethyl]acetamide
CID 101331096
N-[1-[1-ethyl-2-[(E)-tetradec-7-enyl]-4,5-dihydroimidazol-1-ium-1-yl]ethyl]acetamide
CID 101331234
N-[1-[1-ethyl-2-[(E)-icos-3-enyl]-4,5-dihydroimidazol-1-ium-1-yl]ethyl]acetamide
CID 101331788
1-(1-ethyl-2-henicos-20-enyl-4,5-dihydroimidazol-1-ium-1-yl)ethanol
CID 101330749
N-[1-[1-ethyl-2-[(E)-tridec-2-enyl]-4,5-dihydroimidazol-1-ium-1-yl]ethyl]acetamide
CID 101331157
N-[2-(1-ethyl-2-icos-19-enyl-4,5-dihydroimidazol-1-ium-1-yl)ethyl]acetamide
CID 101331823

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-ethyl-2-hept-6-enyl-4,5-dihydroimidazol-1-ium-1-yl)ethyl]acetamide?
The IUPAC name of N-[1-(1-ethyl-2-hept-6-enyl-4,5-dihydroimidazol-1-ium-1-yl)ethyl]acetamide (CID 101330855) is N-[1-(1-ethyl-2-hept-6-enyl-4,5-dihydroimidazol-1-ium-1-yl)ethyl]acetamide.
What is the SMILES notation for N-[1-(1-ethyl-2-hept-6-enyl-4,5-dihydroimidazol-1-ium-1-yl)ethyl]acetamide?
The canonical SMILES for N-[1-(1-ethyl-2-hept-6-enyl-4,5-dihydroimidazol-1-ium-1-yl)ethyl]acetamide is C=CCCCCCC1=NCC[N+]1(CC)C(C)NC(C)=O.
What is the InChIKey of N-[1-(1-ethyl-2-hept-6-enyl-4,5-dihydroimidazol-1-ium-1-yl)ethyl]acetamide?
The InChIKey is GNYNKXMCZDFFBF-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H29N3O/c1-5-7-8-9-10-11-16-17-12-13-19(16,6-2)14(3)18-15(4)20/h5,14H,1,6-13H2,2-4H3/p+1.
What are the key properties of N-[1-(1-ethyl-2-hept-6-enyl-4,5-dihydroimidazol-1-ium-1-yl)ethyl]acetamide?
N-[1-(1-ethyl-2-hept-6-enyl-4,5-dihydroimidazol-1-ium-1-yl)ethyl]acetamide has a molecular weight of 280.44 g/mol, XLogP of 2.85, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-ethyl-2-hept-6-enyl-4,5-dihydroimidazol-1-ium-1-yl)ethyl]acetamide is sourced from PubChem (CID 101330855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).