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

C16H31N3 — CID 101322989

IUPAC1-[2-[(E)-undec-3-enyl]-1,2-dihydroimidazol-3-yl]ethanamine
SMILESCCCCCCC/C=C/CCC1NC=CN1C(C)N
InChIInChI=1S/C16H31N3/c1-3-4-5-6-7-8-9-10-11-12-16-18-13-14-19(16)15(2)17/h9-10,13-16,18H,3-8,11-12,17H2,1-2H3/b10-9+
InChIKeyXUDDURIOFBJJHF-MDZDMXLPSA-N
MW265.44 g/mol
LogP3.69
Rot. Bonds10

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

1-[2-[(E)-undec-3-enyl]-1,2-dihydroimidazol-3-yl]ethanamine (PubChem CID 101322989) has the molecular formula C16H31N3 and a molecular weight of 265.44 g/mol. Its IUPAC name is 1-[2-[(E)-undec-3-enyl]-1,2-dihydroimidazol-3-yl]ethanamine.

Molecular Properties

Compound Name1-[2-[(E)-undec-3-enyl]-1,2-dihydroimidazol-3-yl]ethanamine
PubChem CID101322989
Molecular FormulaC16H31N3
Molecular Weight265.44 g/mol
Exact Mass265.25
IUPAC Name1-[2-[(E)-undec-3-enyl]-1,2-dihydroimidazol-3-yl]ethanamine
SMILESCCCCCCC/C=C/CCC1NC=CN1C(C)N
InChIInChI=1S/C16H31N3/c1-3-4-5-6-7-8-9-10-11-12-16-18-13-14-19(16)15(2)17/h9-10,13-16,18H,3-8,11-12,17H2,1-2H3/b10-9+
InChIKeyXUDDURIOFBJJHF-MDZDMXLPSA-N
XLogP3.69
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 53.69
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

1-[2-[(E)-heptadec-7-enyl]-1,2-dihydroimidazol-3-yl]ethanamine
CID 101323508
1-[2-[(E)-tetradec-8-enyl]-1,2-dihydroimidazol-3-yl]ethanamine
CID 101323252
1-[2-[(E)-tridec-2-enyl]-1,2-dihydroimidazol-3-yl]ethanamine
CID 101323172
1-[2-[(E)-hexadec-12-enyl]-1,2-dihydroimidazol-3-yl]ethanamine
CID 101323422
1-[2-[(E)-heptadec-2-enyl]-1,2-dihydroimidazol-3-yl]ethanamine
CID 101323503
1-[2-[(E)-non-5-enyl]-1,2-dihydroimidazol-3-yl]ethanamine
CID 101322885
1-[2-[(E)-octadec-12-enyl]-1,2-dihydroimidazol-3-yl]ethanol
CID 101328248
1-[2-[(E)-heptadec-11-enyl]-1,2-dihydroimidazol-3-yl]ethanol
CID 101328198
1-[2-[(E)-octadec-11-enyl]-1,2-dihydroimidazol-3-yl]ethanol
CID 101328247
1-[2-[(E)-heptadec-10-enyl]-1,2-dihydroimidazol-3-yl]ethanol
CID 101328197
1-[2-[(E)-tridec-9-enyl]-1,2-dihydroimidazol-3-yl]ethanol
CID 101328030
2-[2-[(E)-dec-3-enyl]-1,2-dihydroimidazol-3-yl]ethanamine
CID 101322960

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(E)-undec-3-enyl]-1,2-dihydroimidazol-3-yl]ethanamine?
The IUPAC name of 1-[2-[(E)-undec-3-enyl]-1,2-dihydroimidazol-3-yl]ethanamine (CID 101322989) is 1-[2-[(E)-undec-3-enyl]-1,2-dihydroimidazol-3-yl]ethanamine.
What is the SMILES notation for 1-[2-[(E)-undec-3-enyl]-1,2-dihydroimidazol-3-yl]ethanamine?
The canonical SMILES for 1-[2-[(E)-undec-3-enyl]-1,2-dihydroimidazol-3-yl]ethanamine is CCCCCCC/C=C/CCC1NC=CN1C(C)N.
What is the InChIKey of 1-[2-[(E)-undec-3-enyl]-1,2-dihydroimidazol-3-yl]ethanamine?
The InChIKey is XUDDURIOFBJJHF-MDZDMXLPSA-N. The full InChI is InChI=1S/C16H31N3/c1-3-4-5-6-7-8-9-10-11-12-16-18-13-14-19(16)15(2)17/h9-10,13-16,18H,3-8,11-12,17H2,1-2H3/b10-9+.
What are the key properties of 1-[2-[(E)-undec-3-enyl]-1,2-dihydroimidazol-3-yl]ethanamine?
1-[2-[(E)-undec-3-enyl]-1,2-dihydroimidazol-3-yl]ethanamine has a molecular weight of 265.44 g/mol, XLogP of 3.69, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(E)-undec-3-enyl]-1,2-dihydroimidazol-3-yl]ethanamine is sourced from PubChem (CID 101322989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).