2-(5-heptadec-1-enyl-4,5-dihydro-1H-imidazol-2-yl)ethanamine

C22H43N3 — CID 54159674

IUPAC2-(5-heptadec-1-enyl-4,5-dihydro-1H-imidazol-2-yl)ethanamine
SMILESCCCCCCCCCCCCCCCC=CC1CN=C(CCN)N1
InChIInChI=1S/C22H43N3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-20-24-22(25-21)18-19-23/h16-17,21H,2-15,18-20,23H2,1H3,(H,24,25)
InChIKeyONNRRWPDMPGBIN-UHFFFAOYSA-N
MW349.61 g/mol
LogP5.74
Rot. Bonds17

About 2-(5-heptadec-1-enyl-4,5-dihydro-1H-imidazol-2-yl)ethanamine

2-(5-heptadec-1-enyl-4,5-dihydro-1H-imidazol-2-yl)ethanamine (PubChem CID 54159674) has the molecular formula C22H43N3 and a molecular weight of 349.61 g/mol. Its IUPAC name is 2-(5-heptadec-1-enyl-4,5-dihydro-1H-imidazol-2-yl)ethanamine.

Molecular Properties

Compound Name2-(5-heptadec-1-enyl-4,5-dihydro-1H-imidazol-2-yl)ethanamine
PubChem CID54159674
Molecular FormulaC22H43N3
Molecular Weight349.61 g/mol
Exact Mass349.35
IUPAC Name2-(5-heptadec-1-enyl-4,5-dihydro-1H-imidazol-2-yl)ethanamine
SMILESCCCCCCCCCCCCCCCC=CC1CN=C(CCN)N1
InChIInChI=1S/C22H43N3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-20-24-22(25-21)18-19-23/h16-17,21H,2-15,18-20,23H2,1H3,(H,24,25)
InChIKeyONNRRWPDMPGBIN-UHFFFAOYSA-N
XLogP5.74
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.61
LogP ≤ 55.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(5-heptadec-1-enyl-4,5-dihydro-1H-imidazol-2-yl)ethanamine?
The IUPAC name of 2-(5-heptadec-1-enyl-4,5-dihydro-1H-imidazol-2-yl)ethanamine (CID 54159674) is 2-(5-heptadec-1-enyl-4,5-dihydro-1H-imidazol-2-yl)ethanamine.
What is the SMILES notation for 2-(5-heptadec-1-enyl-4,5-dihydro-1H-imidazol-2-yl)ethanamine?
The canonical SMILES for 2-(5-heptadec-1-enyl-4,5-dihydro-1H-imidazol-2-yl)ethanamine is CCCCCCCCCCCCCCCC=CC1CN=C(CCN)N1.
What is the InChIKey of 2-(5-heptadec-1-enyl-4,5-dihydro-1H-imidazol-2-yl)ethanamine?
The InChIKey is ONNRRWPDMPGBIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H43N3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-20-24-22(25-21)18-19-23/h16-17,21H,2-15,18-20,23H2,1H3,(H,24,25).
What are the key properties of 2-(5-heptadec-1-enyl-4,5-dihydro-1H-imidazol-2-yl)ethanamine?
2-(5-heptadec-1-enyl-4,5-dihydro-1H-imidazol-2-yl)ethanamine has a molecular weight of 349.61 g/mol, XLogP of 5.74, 17 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-heptadec-1-enyl-4,5-dihydro-1H-imidazol-2-yl)ethanamine is sourced from PubChem (CID 54159674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).