2-[2-(3-ethyltetradeca-7,9-dien-3-yl)-4,5-dimethyl-4,5-dihydroimidazol-1-yl]ethanamine

C23H43N3 — CID 54487401

IUPAC2-[2-(3-ethyltetradeca-7,9-dien-3-yl)-4,5-dimethyl-4,5-dihydroimidazol-1-yl]ethanamine
SMILESCCCCC=CC=CCCCC(CC)(CC)C1=NC(C)C(C)N1CCN
InChIInChI=1S/C23H43N3/c1-6-9-10-11-12-13-14-15-16-17-23(7-2,8-3)22-25-20(4)21(5)26(22)19-18-24/h11-14,20-21H,6-10,15-19,24H2,1-5H3
InChIKeyXTHCUHDXQCRMSE-UHFFFAOYSA-N
MW361.62 g/mol
LogP5.72
Rot. Bonds13

About 2-[2-(3-ethyltetradeca-7,9-dien-3-yl)-4,5-dimethyl-4,5-dihydroimidazol-1-yl]ethanamine

2-[2-(3-ethyltetradeca-7,9-dien-3-yl)-4,5-dimethyl-4,5-dihydroimidazol-1-yl]ethanamine (PubChem CID 54487401) has the molecular formula C23H43N3 and a molecular weight of 361.62 g/mol. Its IUPAC name is 2-[2-(3-ethyltetradeca-7,9-dien-3-yl)-4,5-dimethyl-4,5-dihydroimidazol-1-yl]ethanamine.

Molecular Properties

Compound Name2-[2-(3-ethyltetradeca-7,9-dien-3-yl)-4,5-dimethyl-4,5-dihydroimidazol-1-yl]ethanamine
PubChem CID54487401
Molecular FormulaC23H43N3
Molecular Weight361.62 g/mol
Exact Mass361.35
IUPAC Name2-[2-(3-ethyltetradeca-7,9-dien-3-yl)-4,5-dimethyl-4,5-dihydroimidazol-1-yl]ethanamine
SMILESCCCCC=CC=CCCCC(CC)(CC)C1=NC(C)C(C)N1CCN
InChIInChI=1S/C23H43N3/c1-6-9-10-11-12-13-14-15-16-17-23(7-2,8-3)22-25-20(4)21(5)26(22)19-18-24/h11-14,20-21H,6-10,15-19,24H2,1-5H3
InChIKeyXTHCUHDXQCRMSE-UHFFFAOYSA-N
XLogP5.72
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.62
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-ethyltetradeca-7,9-dien-3-yl)-4,5-dimethyl-4,5-dihydroimidazol-1-yl]ethanamine?
The IUPAC name of 2-[2-(3-ethyltetradeca-7,9-dien-3-yl)-4,5-dimethyl-4,5-dihydroimidazol-1-yl]ethanamine (CID 54487401) is 2-[2-(3-ethyltetradeca-7,9-dien-3-yl)-4,5-dimethyl-4,5-dihydroimidazol-1-yl]ethanamine.
What is the SMILES notation for 2-[2-(3-ethyltetradeca-7,9-dien-3-yl)-4,5-dimethyl-4,5-dihydroimidazol-1-yl]ethanamine?
The canonical SMILES for 2-[2-(3-ethyltetradeca-7,9-dien-3-yl)-4,5-dimethyl-4,5-dihydroimidazol-1-yl]ethanamine is CCCCC=CC=CCCCC(CC)(CC)C1=NC(C)C(C)N1CCN.
What is the InChIKey of 2-[2-(3-ethyltetradeca-7,9-dien-3-yl)-4,5-dimethyl-4,5-dihydroimidazol-1-yl]ethanamine?
The InChIKey is XTHCUHDXQCRMSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H43N3/c1-6-9-10-11-12-13-14-15-16-17-23(7-2,8-3)22-25-20(4)21(5)26(22)19-18-24/h11-14,20-21H,6-10,15-19,24H2,1-5H3.
What are the key properties of 2-[2-(3-ethyltetradeca-7,9-dien-3-yl)-4,5-dimethyl-4,5-dihydroimidazol-1-yl]ethanamine?
2-[2-(3-ethyltetradeca-7,9-dien-3-yl)-4,5-dimethyl-4,5-dihydroimidazol-1-yl]ethanamine has a molecular weight of 361.62 g/mol, XLogP of 5.72, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-ethyltetradeca-7,9-dien-3-yl)-4,5-dimethyl-4,5-dihydroimidazol-1-yl]ethanamine is sourced from PubChem (CID 54487401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).