azane;1-tetradecyl-4,5-dihydroimidazole

C17H37N3 — CID 174807620

IUPACazane;1-tetradecyl-4,5-dihydroimidazole
SMILESCCCCCCCCCCCCCCN1C=NCC1.N
InChIInChI=1S/C17H34N2.H3N/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-19-16-14-18-17-19;/h17H,2-16H2,1H3;1H3
InChIKeyXCLYFZOTUBNJIX-UHFFFAOYSA-N
MW283.50 g/mol
LogP5.19
Rot. Bonds13

About azane;1-tetradecyl-4,5-dihydroimidazole

azane;1-tetradecyl-4,5-dihydroimidazole (PubChem CID 174807620) has the molecular formula C17H37N3 and a molecular weight of 283.50 g/mol. Its IUPAC name is azane;1-tetradecyl-4,5-dihydroimidazole.

Molecular Properties

Compound Nameazane;1-tetradecyl-4,5-dihydroimidazole
PubChem CID174807620
Molecular FormulaC17H37N3
Molecular Weight283.50 g/mol
Exact Mass283.30
IUPAC Nameazane;1-tetradecyl-4,5-dihydroimidazole
SMILESCCCCCCCCCCCCCCN1C=NCC1.N
InChIInChI=1S/C17H34N2.H3N/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-19-16-14-18-17-19;/h17H,2-16H2,1H3;1H3
InChIKeyXCLYFZOTUBNJIX-UHFFFAOYSA-N
XLogP5.19
TPSA50.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.50
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

azane;1-hexadecyl-4,5-dihydroimidazole
CID 174750649
1-heptyl-4,5-dihydroimidazole
CID 19733963
sodium 1-dodecyl-4,5-dihydroimidazole
CID 172834119
ethane-1,2-diol;1-octadecyl-4,5-dihydroimidazole
CID 174904946
1-[(Z)-icos-9-enyl]-4,5-dihydroimidazole
CID 141148808
1-dodecyl-4,5-dihydroimidazole;2-(trimethylazaniumyl)acetate
CID 173231267
N-[2-(4,5-dihydroimidazol-1-yl)ethyl]pentan-1-amine
CID 70630186
octadec-9-enoic acid;1-octadec-9-enyl-4,5-dihydroimidazole
CID 70617412
dodecakis(1-butyl-4,5-dihydroimidazole);fluorophosphonic acid
CID 173136185
3-(4,5-dihydroimidazol-1-yl)propyl-methyl-dipropoxysilane
CID 140625026
(Z)-1-N'-[2-(4,5-dihydroimidazol-1-yl)ethyl]icos-11-ene-1,1-diamine
CID 70406814
chloro-[3-(4,5-dihydroimidazol-1-yl)propyl]-ethyl-propoxysilane
CID 140625067

Frequently Asked Questions

What is the IUPAC name of azane;1-tetradecyl-4,5-dihydroimidazole?
The IUPAC name of azane;1-tetradecyl-4,5-dihydroimidazole (CID 174807620) is azane;1-tetradecyl-4,5-dihydroimidazole.
What is the SMILES notation for azane;1-tetradecyl-4,5-dihydroimidazole?
The canonical SMILES for azane;1-tetradecyl-4,5-dihydroimidazole is CCCCCCCCCCCCCCN1C=NCC1.N.
What is the InChIKey of azane;1-tetradecyl-4,5-dihydroimidazole?
The InChIKey is XCLYFZOTUBNJIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2.H3N/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-19-16-14-18-17-19;/h17H,2-16H2,1H3;1H3.
What are the key properties of azane;1-tetradecyl-4,5-dihydroimidazole?
azane;1-tetradecyl-4,5-dihydroimidazole has a molecular weight of 283.50 g/mol, XLogP of 5.19, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azane;1-tetradecyl-4,5-dihydroimidazole is sourced from PubChem (CID 174807620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).