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

C15H29N3 — CID 101322960

IUPAC2-[2-[(E)-dec-3-enyl]-1,2-dihydroimidazol-3-yl]ethanamine
SMILESCCCCCC/C=C/CCC1NC=CN1CCN
InChIInChI=1S/C15H29N3/c1-2-3-4-5-6-7-8-9-10-15-17-12-14-18(15)13-11-16/h7-8,12,14-15,17H,2-6,9-11,13,16H2,1H3/b8-7+
InChIKeyGKOOJMBVDYYMSG-BQYQJAHWSA-N
MW251.42 g/mol
LogP2.95
Rot. Bonds10

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

2-[2-[(E)-dec-3-enyl]-1,2-dihydroimidazol-3-yl]ethanamine (PubChem CID 101322960) has the molecular formula C15H29N3 and a molecular weight of 251.42 g/mol. Its IUPAC name is 2-[2-[(E)-dec-3-enyl]-1,2-dihydroimidazol-3-yl]ethanamine.

Molecular Properties

Compound Name2-[2-[(E)-dec-3-enyl]-1,2-dihydroimidazol-3-yl]ethanamine
PubChem CID101322960
Molecular FormulaC15H29N3
Molecular Weight251.42 g/mol
Exact Mass251.24
IUPAC Name2-[2-[(E)-dec-3-enyl]-1,2-dihydroimidazol-3-yl]ethanamine
SMILESCCCCCC/C=C/CCC1NC=CN1CCN
InChIInChI=1S/C15H29N3/c1-2-3-4-5-6-7-8-9-10-15-17-12-14-18(15)13-11-16/h7-8,12,14-15,17H,2-6,9-11,13,16H2,1H3/b8-7+
InChIKeyGKOOJMBVDYYMSG-BQYQJAHWSA-N
XLogP2.95
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.42
LogP ≤ 52.95
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)-pentadec-6-enyl]-1,2-dihydroimidazol-3-yl]ethanamine
CID 101323372
2-[2-[(E)-heptadec-12-enyl]-1,2-dihydroimidazol-3-yl]ethanamine
CID 101323554
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)-dec-4-enyl]-1,2-dihydroimidazol-3-yl]ethanol
CID 101327521
2-[2-[(E)-tridec-8-enyl]-1,2-dihydroimidazol-3-yl]ethanol
CID 101327619
2-[2-[(E)-octadec-1-enyl]-1,2-dihydroimidazol-3-yl]ethanamine
CID 101323642
1-[2-[(E)-undec-3-enyl]-1,2-dihydroimidazol-3-yl]ethanamine
CID 101322989

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(E)-dec-3-enyl]-1,2-dihydroimidazol-3-yl]ethanamine?
The IUPAC name of 2-[2-[(E)-dec-3-enyl]-1,2-dihydroimidazol-3-yl]ethanamine (CID 101322960) is 2-[2-[(E)-dec-3-enyl]-1,2-dihydroimidazol-3-yl]ethanamine.
What is the SMILES notation for 2-[2-[(E)-dec-3-enyl]-1,2-dihydroimidazol-3-yl]ethanamine?
The canonical SMILES for 2-[2-[(E)-dec-3-enyl]-1,2-dihydroimidazol-3-yl]ethanamine is CCCCCC/C=C/CCC1NC=CN1CCN.
What is the InChIKey of 2-[2-[(E)-dec-3-enyl]-1,2-dihydroimidazol-3-yl]ethanamine?
The InChIKey is GKOOJMBVDYYMSG-BQYQJAHWSA-N. The full InChI is InChI=1S/C15H29N3/c1-2-3-4-5-6-7-8-9-10-15-17-12-14-18(15)13-11-16/h7-8,12,14-15,17H,2-6,9-11,13,16H2,1H3/b8-7+.
What are the key properties of 2-[2-[(E)-dec-3-enyl]-1,2-dihydroimidazol-3-yl]ethanamine?
2-[2-[(E)-dec-3-enyl]-1,2-dihydroimidazol-3-yl]ethanamine has a molecular weight of 251.42 g/mol, XLogP of 2.95, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(E)-dec-3-enyl]-1,2-dihydroimidazol-3-yl]ethanamine is sourced from PubChem (CID 101322960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).