1-(2-pentadec-14-enyl-4,5-dihydroimidazol-1-yl)ethanamine

C20H39N3 — CID 101323310

IUPAC1-(2-pentadec-14-enyl-4,5-dihydroimidazol-1-yl)ethanamine
SMILESC=CCCCCCCCCCCCCCC1=NCCN1C(C)N
InChIInChI=1S/C20H39N3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-22-17-18-23(20)19(2)21/h3,19H,1,4-18,21H2,2H3
InChIKeyZMAFMOZNKONYGO-UHFFFAOYSA-N
MW321.55 g/mol
LogP5.26
Rot. Bonds15

About 1-(2-pentadec-14-enyl-4,5-dihydroimidazol-1-yl)ethanamine

1-(2-pentadec-14-enyl-4,5-dihydroimidazol-1-yl)ethanamine (PubChem CID 101323310) has the molecular formula C20H39N3 and a molecular weight of 321.55 g/mol. Its IUPAC name is 1-(2-pentadec-14-enyl-4,5-dihydroimidazol-1-yl)ethanamine.

Molecular Properties

Compound Name1-(2-pentadec-14-enyl-4,5-dihydroimidazol-1-yl)ethanamine
PubChem CID101323310
Molecular FormulaC20H39N3
Molecular Weight321.55 g/mol
Exact Mass321.31
IUPAC Name1-(2-pentadec-14-enyl-4,5-dihydroimidazol-1-yl)ethanamine
SMILESC=CCCCCCCCCCCCCCC1=NCCN1C(C)N
InChIInChI=1S/C20H39N3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-22-17-18-23(20)19(2)21/h3,19H,1,4-18,21H2,2H3
InChIKeyZMAFMOZNKONYGO-UHFFFAOYSA-N
XLogP5.26
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.55
LogP ≤ 55.26
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-oct-7-enyl-4,5-dihydroimidazol-1-yl)ethanol
CID 101327870
1-[2-[(E)-tetradec-11-enyl]-4,5-dihydroimidazol-1-yl]ethanamine
CID 101323229
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)-octadec-3-enyl]-4,5-dihydroimidazol-1-yl]ethanamine
CID 101323561
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)-undec-7-enyl]-4,5-dihydroimidazol-1-yl]ethanol
CID 101327942
2-(2-dec-9-enyl-4,5-dihydroimidazol-1-yl)ethanol
CID 101327508
1-(2-hexadecyl-4,5-dihydroimidazol-1-yl)ethanol;dihydrofluoride
CID 57453852
1-(2-octadec-1-enyl-4,5-dihydroimidazol-1-yl)ethanamine
CID 163477068
2-hexadecyl-1-(1-octadecoxyethyl)-4,5-dihydroimidazole
CID 67786332

Frequently Asked Questions

What is the IUPAC name of 1-(2-pentadec-14-enyl-4,5-dihydroimidazol-1-yl)ethanamine?
The IUPAC name of 1-(2-pentadec-14-enyl-4,5-dihydroimidazol-1-yl)ethanamine (CID 101323310) is 1-(2-pentadec-14-enyl-4,5-dihydroimidazol-1-yl)ethanamine.
What is the SMILES notation for 1-(2-pentadec-14-enyl-4,5-dihydroimidazol-1-yl)ethanamine?
The canonical SMILES for 1-(2-pentadec-14-enyl-4,5-dihydroimidazol-1-yl)ethanamine is C=CCCCCCCCCCCCCCC1=NCCN1C(C)N.
What is the InChIKey of 1-(2-pentadec-14-enyl-4,5-dihydroimidazol-1-yl)ethanamine?
The InChIKey is ZMAFMOZNKONYGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H39N3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-22-17-18-23(20)19(2)21/h3,19H,1,4-18,21H2,2H3.
What are the key properties of 1-(2-pentadec-14-enyl-4,5-dihydroimidazol-1-yl)ethanamine?
1-(2-pentadec-14-enyl-4,5-dihydroimidazol-1-yl)ethanamine has a molecular weight of 321.55 g/mol, XLogP of 5.26, 15 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-pentadec-14-enyl-4,5-dihydroimidazol-1-yl)ethanamine is sourced from PubChem (CID 101323310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).