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

C18H35N3 — CID 101323193

IUPAC2-[2-[(E)-tridec-11-enyl]-4,5-dihydroimidazol-1-yl]ethanamine
SMILESC/C=C/CCCCCCCCCCC1=NCCN1CCN
InChIInChI=1S/C18H35N3/c1-2-3-4-5-6-7-8-9-10-11-12-13-18-20-15-17-21(18)16-14-19/h2-3H,4-17,19H2,1H3/b3-2+
InChIKeyDDKKFNJMIRYAFD-NSCUHMNNSA-N
MW293.50 g/mol
LogP4.14
Rot. Bonds13

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

2-[2-[(E)-tridec-11-enyl]-4,5-dihydroimidazol-1-yl]ethanamine (PubChem CID 101323193) has the molecular formula C18H35N3 and a molecular weight of 293.50 g/mol. Its IUPAC name is 2-[2-[(E)-tridec-11-enyl]-4,5-dihydroimidazol-1-yl]ethanamine.

Molecular Properties

Compound Name2-[2-[(E)-tridec-11-enyl]-4,5-dihydroimidazol-1-yl]ethanamine
PubChem CID101323193
Molecular FormulaC18H35N3
Molecular Weight293.50 g/mol
Exact Mass293.28
IUPAC Name2-[2-[(E)-tridec-11-enyl]-4,5-dihydroimidazol-1-yl]ethanamine
SMILESC/C=C/CCCCCCCCCCC1=NCCN1CCN
InChIInChI=1S/C18H35N3/c1-2-3-4-5-6-7-8-9-10-11-12-13-18-20-15-17-21(18)16-14-19/h2-3H,4-17,19H2,1H3/b3-2+
InChIKeyDDKKFNJMIRYAFD-NSCUHMNNSA-N
XLogP4.14
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.50
LogP ≤ 54.14
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

2-[2-[(E)-heptadec-5-enyl]-4,5-dihydroimidazol-1-yl]ethanamine
CID 101323520
2-[2-[(E)-non-7-enyl]-4,5-dihydroimidazol-1-yl]ethanol
CID 101327482
2-[2-[(E)-dec-5-enyl]-4,5-dihydroimidazol-1-yl]ethanamine
CID 101322944
2-[2-[(E)-heptadec-4-enyl]-4,5-dihydroimidazol-1-yl]ethanamine
CID 101323519
2-[2-[(E)-dec-7-enyl]-4,5-dihydroimidazol-1-yl]ethanol
CID 101327506
18-[2-(16-carboxyhexadec-8-enyl)-4,5-dihydroimidazol-1-yl]octadec-9-enoic acid
CID 67767246
2-[2-[(E)-tridec-6-enyl]-4,5-dihydroimidazol-1-yl]ethanol
CID 101327593
2-[2-[(E)-octadec-5-enyl]-4,5-dihydroimidazol-1-yl]ethanol
CID 101327795
2-[2-[(E)-octadec-10-enyl]-4,5-dihydroimidazol-1-yl]ethanol
CID 101327799
2-(2-heptadecyl-4,5-dihydroimidazol-1-yl)ethanamine;octadecanoic acid
CID 70551983
2-(2-undec-1-enyl-4,5-dihydroimidazol-1-yl)ethanamine
CID 170849372
2-[2-[(E)-octadec-1-enyl]-4,5-dihydroimidazol-1-yl]ethanamine
CID 101323609

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(E)-tridec-11-enyl]-4,5-dihydroimidazol-1-yl]ethanamine?
The IUPAC name of 2-[2-[(E)-tridec-11-enyl]-4,5-dihydroimidazol-1-yl]ethanamine (CID 101323193) is 2-[2-[(E)-tridec-11-enyl]-4,5-dihydroimidazol-1-yl]ethanamine.
What is the SMILES notation for 2-[2-[(E)-tridec-11-enyl]-4,5-dihydroimidazol-1-yl]ethanamine?
The canonical SMILES for 2-[2-[(E)-tridec-11-enyl]-4,5-dihydroimidazol-1-yl]ethanamine is C/C=C/CCCCCCCCCCC1=NCCN1CCN.
What is the InChIKey of 2-[2-[(E)-tridec-11-enyl]-4,5-dihydroimidazol-1-yl]ethanamine?
The InChIKey is DDKKFNJMIRYAFD-NSCUHMNNSA-N. The full InChI is InChI=1S/C18H35N3/c1-2-3-4-5-6-7-8-9-10-11-12-13-18-20-15-17-21(18)16-14-19/h2-3H,4-17,19H2,1H3/b3-2+.
What are the key properties of 2-[2-[(E)-tridec-11-enyl]-4,5-dihydroimidazol-1-yl]ethanamine?
2-[2-[(E)-tridec-11-enyl]-4,5-dihydroimidazol-1-yl]ethanamine has a molecular weight of 293.50 g/mol, XLogP of 4.14, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(E)-tridec-11-enyl]-4,5-dihydroimidazol-1-yl]ethanamine is sourced from PubChem (CID 101323193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).