1-[2-[(E)-tetradec-8-enyl]-1,2-dihydroimidazol-3-yl]ethanamine

C19H37N3 — CID 101323252

IUPAC1-[2-[(E)-tetradec-8-enyl]-1,2-dihydroimidazol-3-yl]ethanamine
SMILESCCCCC/C=C/CCCCCCCC1NC=CN1C(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/h7-8,16-19,21H,3-6,9-15,20H2,1-2H3/b8-7+
InChIKeyTXNGTMCMCLLVIR-BQYQJAHWSA-N
MW307.53 g/mol
LogP4.86
Rot. Bonds13

About 1-[2-[(E)-tetradec-8-enyl]-1,2-dihydroimidazol-3-yl]ethanamine

1-[2-[(E)-tetradec-8-enyl]-1,2-dihydroimidazol-3-yl]ethanamine (PubChem CID 101323252) has the molecular formula C19H37N3 and a molecular weight of 307.53 g/mol. Its IUPAC name is 1-[2-[(E)-tetradec-8-enyl]-1,2-dihydroimidazol-3-yl]ethanamine.

Molecular Properties

Compound Name1-[2-[(E)-tetradec-8-enyl]-1,2-dihydroimidazol-3-yl]ethanamine
PubChem CID101323252
Molecular FormulaC19H37N3
Molecular Weight307.53 g/mol
Exact Mass307.30
IUPAC Name1-[2-[(E)-tetradec-8-enyl]-1,2-dihydroimidazol-3-yl]ethanamine
SMILESCCCCC/C=C/CCCCCCCC1NC=CN1C(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/h7-8,16-19,21H,3-6,9-15,20H2,1-2H3/b8-7+
InChIKeyTXNGTMCMCLLVIR-BQYQJAHWSA-N
XLogP4.86
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.53
LogP ≤ 54.86
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)-hexadec-12-enyl]-1,2-dihydroimidazol-3-yl]ethanamine
CID 101323422
1-[2-[(E)-undec-3-enyl]-1,2-dihydroimidazol-3-yl]ethanamine
CID 101322989
1-[2-[(E)-non-5-enyl]-1,2-dihydroimidazol-3-yl]ethanamine
CID 101322885
1-[2-[(E)-tridec-2-enyl]-1,2-dihydroimidazol-3-yl]ethanamine
CID 101323172
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)-heptadec-2-enyl]-1,2-dihydroimidazol-3-yl]ethanamine
CID 101323503
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
1-[2-[(E)-pentadec-12-enyl]-1,2-dihydroimidazol-3-yl]ethanol
CID 101328112

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(E)-tetradec-8-enyl]-1,2-dihydroimidazol-3-yl]ethanamine?
The IUPAC name of 1-[2-[(E)-tetradec-8-enyl]-1,2-dihydroimidazol-3-yl]ethanamine (CID 101323252) is 1-[2-[(E)-tetradec-8-enyl]-1,2-dihydroimidazol-3-yl]ethanamine.
What is the SMILES notation for 1-[2-[(E)-tetradec-8-enyl]-1,2-dihydroimidazol-3-yl]ethanamine?
The canonical SMILES for 1-[2-[(E)-tetradec-8-enyl]-1,2-dihydroimidazol-3-yl]ethanamine is CCCCC/C=C/CCCCCCCC1NC=CN1C(C)N.
What is the InChIKey of 1-[2-[(E)-tetradec-8-enyl]-1,2-dihydroimidazol-3-yl]ethanamine?
The InChIKey is TXNGTMCMCLLVIR-BQYQJAHWSA-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/h7-8,16-19,21H,3-6,9-15,20H2,1-2H3/b8-7+.
What are the key properties of 1-[2-[(E)-tetradec-8-enyl]-1,2-dihydroimidazol-3-yl]ethanamine?
1-[2-[(E)-tetradec-8-enyl]-1,2-dihydroimidazol-3-yl]ethanamine has a molecular weight of 307.53 g/mol, XLogP of 4.86, 13 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(E)-tetradec-8-enyl]-1,2-dihydroimidazol-3-yl]ethanamine is sourced from PubChem (CID 101323252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).