2-[2-[(E)-pentadec-6-enyl]-1,2-dihydroimidazol-3-yl]ethanamine

C20H39N3 — CID 101323372

IUPAC2-[2-[(E)-pentadec-6-enyl]-1,2-dihydroimidazol-3-yl]ethanamine
SMILESCCCCCCCC/C=C/CCCCCC1NC=CN1CCN
InChIInChI=1S/C20H39N3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-22-17-19-23(20)18-16-21/h9-10,17,19-20,22H,2-8,11-16,18,21H2,1H3/b10-9+
InChIKeyXCFSGRSTMSLJNZ-MDZDMXLPSA-N
MW321.55 g/mol
LogP4.90
Rot. Bonds15

About 2-[2-[(E)-pentadec-6-enyl]-1,2-dihydroimidazol-3-yl]ethanamine

2-[2-[(E)-pentadec-6-enyl]-1,2-dihydroimidazol-3-yl]ethanamine (PubChem CID 101323372) has the molecular formula C20H39N3 and a molecular weight of 321.55 g/mol. Its IUPAC name is 2-[2-[(E)-pentadec-6-enyl]-1,2-dihydroimidazol-3-yl]ethanamine.

Molecular Properties

Compound Name2-[2-[(E)-pentadec-6-enyl]-1,2-dihydroimidazol-3-yl]ethanamine
PubChem CID101323372
Molecular FormulaC20H39N3
Molecular Weight321.55 g/mol
Exact Mass321.31
IUPAC Name2-[2-[(E)-pentadec-6-enyl]-1,2-dihydroimidazol-3-yl]ethanamine
SMILESCCCCCCCC/C=C/CCCCCC1NC=CN1CCN
InChIInChI=1S/C20H39N3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-22-17-19-23(20)18-16-21/h9-10,17,19-20,22H,2-8,11-16,18,21H2,1H3/b10-9+
InChIKeyXCFSGRSTMSLJNZ-MDZDMXLPSA-N
XLogP4.90
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.55
LogP ≤ 54.90
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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Related Compounds

2-[2-[(E)-octadec-12-enyl]-1,2-dihydroimidazol-3-yl]ethanamine
CID 101323652
2-[2-[(E)-heptadec-12-enyl]-1,2-dihydroimidazol-3-yl]ethanamine
CID 101323554
2-[2-[(E)-dec-3-enyl]-1,2-dihydroimidazol-3-yl]ethanamine
CID 101322960
2-[2-[(E)-tridec-7-enyl]-1,2-dihydroimidazol-3-yl]ethanol
CID 101327618
2-[2-[(E)-dodec-5-enyl]-1,2-dihydroimidazol-3-yl]ethanol
CID 101327581
2-[2-[(E)-tridec-5-enyl]-1,2-dihydroimidazol-3-yl]ethanol
CID 101327616
2-[2-[(E)-tridec-6-enyl]-1,2-dihydroimidazol-3-yl]ethanol
CID 101327617
2-[2-[(E)-dodec-10-enyl]-1,2-dihydroimidazol-3-yl]ethanamine
CID 101323091
2-[2-[(E)-tridec-8-enyl]-1,2-dihydroimidazol-3-yl]ethanol
CID 101327619
2-[2-[(E)-dec-4-enyl]-1,2-dihydroimidazol-3-yl]ethanol
CID 101327521
2-[2-[(E)-octadec-1-enyl]-1,2-dihydroimidazol-3-yl]ethanamine
CID 101323642
1-[2-[(E)-heptadec-7-enyl]-1,2-dihydroimidazol-3-yl]ethanamine
CID 101323508

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(E)-pentadec-6-enyl]-1,2-dihydroimidazol-3-yl]ethanamine?
The IUPAC name of 2-[2-[(E)-pentadec-6-enyl]-1,2-dihydroimidazol-3-yl]ethanamine (CID 101323372) is 2-[2-[(E)-pentadec-6-enyl]-1,2-dihydroimidazol-3-yl]ethanamine.
What is the SMILES notation for 2-[2-[(E)-pentadec-6-enyl]-1,2-dihydroimidazol-3-yl]ethanamine?
The canonical SMILES for 2-[2-[(E)-pentadec-6-enyl]-1,2-dihydroimidazol-3-yl]ethanamine is CCCCCCCC/C=C/CCCCCC1NC=CN1CCN.
What is the InChIKey of 2-[2-[(E)-pentadec-6-enyl]-1,2-dihydroimidazol-3-yl]ethanamine?
The InChIKey is XCFSGRSTMSLJNZ-MDZDMXLPSA-N. The full InChI is InChI=1S/C20H39N3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-22-17-19-23(20)18-16-21/h9-10,17,19-20,22H,2-8,11-16,18,21H2,1H3/b10-9+.
What are the key properties of 2-[2-[(E)-pentadec-6-enyl]-1,2-dihydroimidazol-3-yl]ethanamine?
2-[2-[(E)-pentadec-6-enyl]-1,2-dihydroimidazol-3-yl]ethanamine has a molecular weight of 321.55 g/mol, XLogP of 4.90, 15 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(E)-pentadec-6-enyl]-1,2-dihydroimidazol-3-yl]ethanamine is sourced from PubChem (CID 101323372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).