1-[2-[(E)-tetradec-11-enyl]-4,5-dihydroimidazol-1-yl]ethanamine

C19H37N3 — CID 101323229

IUPAC1-[2-[(E)-tetradec-11-enyl]-4,5-dihydroimidazol-1-yl]ethanamine
SMILESCC/C=C/CCCCCCCCCCC1=NCCN1C(C)N
InChIInChI=1S/C19H37N3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-19-21-16-17-22(19)18(2)20/h4-5,18H,3,6-17,20H2,1-2H3/b5-4+
InChIKeyOJOPLSISOYAFFO-SNAWJCMRSA-N
MW307.53 g/mol
LogP4.87
Rot. Bonds13

About 1-[2-[(E)-tetradec-11-enyl]-4,5-dihydroimidazol-1-yl]ethanamine

1-[2-[(E)-tetradec-11-enyl]-4,5-dihydroimidazol-1-yl]ethanamine (PubChem CID 101323229) has the molecular formula C19H37N3 and a molecular weight of 307.53 g/mol. Its IUPAC name is 1-[2-[(E)-tetradec-11-enyl]-4,5-dihydroimidazol-1-yl]ethanamine.

Molecular Properties

Compound Name1-[2-[(E)-tetradec-11-enyl]-4,5-dihydroimidazol-1-yl]ethanamine
PubChem CID101323229
Molecular FormulaC19H37N3
Molecular Weight307.53 g/mol
Exact Mass307.30
IUPAC Name1-[2-[(E)-tetradec-11-enyl]-4,5-dihydroimidazol-1-yl]ethanamine
SMILESCC/C=C/CCCCCCCCCCC1=NCCN1C(C)N
InChIInChI=1S/C19H37N3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-19-21-16-17-22(19)18(2)20/h4-5,18H,3,6-17,20H2,1-2H3/b5-4+
InChIKeyOJOPLSISOYAFFO-SNAWJCMRSA-N
XLogP4.87
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.53
LogP ≤ 54.87
H-Bond Donors ≤ 51
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-11-enyl]-4,5-dihydroimidazol-1-yl]ethanamine
CID 101323480
1-[2-[(E)-pentadec-6-enyl]-4,5-dihydroimidazol-1-yl]ethanamine
CID 101323302
1-[2-[(E)-dodec-7-enyl]-4,5-dihydroimidazol-1-yl]ethanamine
CID 101323033
1-[2-[(E)-octadec-3-enyl]-4,5-dihydroimidazol-1-yl]ethanamine
CID 101323561
1-(2-pentadec-14-enyl-4,5-dihydroimidazol-1-yl)ethanamine
CID 101323310
1-(2-decyl-4,5-dihydroimidazol-1-yl)ethanamine
CID 57179033
1-[2-[(E)-undec-2-enyl]-4,5-dihydroimidazol-1-yl]ethanamine
CID 101322968
1-[2-[(E)-heptadec-12-enyl]-4,5-dihydroimidazol-1-yl]ethanol
CID 101328167
1-[2-[(E)-pentadec-6-enyl]-4,5-dihydroimidazol-1-yl]ethanol
CID 101328078
1-[2-[(E)-undec-7-enyl]-4,5-dihydroimidazol-1-yl]ethanol
CID 101327942
1-[2-[(E)-hexadec-9-enyl]-4,5-dihydroimidazol-1-yl]ethanol
CID 101328122
1-(2-octadec-9-enyl-4,5-dihydroimidazol-1-yl)ethanol
CID 67317165

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(E)-tetradec-11-enyl]-4,5-dihydroimidazol-1-yl]ethanamine?
The IUPAC name of 1-[2-[(E)-tetradec-11-enyl]-4,5-dihydroimidazol-1-yl]ethanamine (CID 101323229) is 1-[2-[(E)-tetradec-11-enyl]-4,5-dihydroimidazol-1-yl]ethanamine.
What is the SMILES notation for 1-[2-[(E)-tetradec-11-enyl]-4,5-dihydroimidazol-1-yl]ethanamine?
The canonical SMILES for 1-[2-[(E)-tetradec-11-enyl]-4,5-dihydroimidazol-1-yl]ethanamine is CC/C=C/CCCCCCCCCCC1=NCCN1C(C)N.
What is the InChIKey of 1-[2-[(E)-tetradec-11-enyl]-4,5-dihydroimidazol-1-yl]ethanamine?
The InChIKey is OJOPLSISOYAFFO-SNAWJCMRSA-N. The full InChI is InChI=1S/C19H37N3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-19-21-16-17-22(19)18(2)20/h4-5,18H,3,6-17,20H2,1-2H3/b5-4+.
What are the key properties of 1-[2-[(E)-tetradec-11-enyl]-4,5-dihydroimidazol-1-yl]ethanamine?
1-[2-[(E)-tetradec-11-enyl]-4,5-dihydroimidazol-1-yl]ethanamine has a molecular weight of 307.53 g/mol, XLogP of 4.87, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(E)-tetradec-11-enyl]-4,5-dihydroimidazol-1-yl]ethanamine is sourced from PubChem (CID 101323229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).