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

C23H45N3 — CID 163477068

IUPAC1-(2-octadec-1-enyl-4,5-dihydroimidazol-1-yl)ethanamine
SMILESCCCCCCCCCCCCCCCCC=CC1=NCCN1C(C)N
InChIInChI=1S/C23H45N3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-25-20-21-26(23)22(2)24/h18-19,22H,3-17,20-21,24H2,1-2H3
InChIKeyCBJCECMYKWERDT-UHFFFAOYSA-N
MW363.63 g/mol
LogP6.43
Rot. Bonds17

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

1-(2-octadec-1-enyl-4,5-dihydroimidazol-1-yl)ethanamine (PubChem CID 163477068) has the molecular formula C23H45N3 and a molecular weight of 363.63 g/mol. Its IUPAC name is 1-(2-octadec-1-enyl-4,5-dihydroimidazol-1-yl)ethanamine.

Molecular Properties

Compound Name1-(2-octadec-1-enyl-4,5-dihydroimidazol-1-yl)ethanamine
PubChem CID163477068
Molecular FormulaC23H45N3
Molecular Weight363.63 g/mol
Exact Mass363.36
IUPAC Name1-(2-octadec-1-enyl-4,5-dihydroimidazol-1-yl)ethanamine
SMILESCCCCCCCCCCCCCCCCC=CC1=NCCN1C(C)N
InChIInChI=1S/C23H45N3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-25-20-21-26(23)22(2)24/h18-19,22H,3-17,20-21,24H2,1-2H3
InChIKeyCBJCECMYKWERDT-UHFFFAOYSA-N
XLogP6.43
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.63
LogP ≤ 56.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[2-[(E)-pentadec-1-enyl]-4,5-dihydroimidazol-1-yl]ethanamine
CID 101323297
2-[(E)-heptadec-1-enyl]-1-propan-2-yl-4,5-dihydroimidazole
CID 23051834
1-(2-octadec-1-enyl-4,5-dihydroimidazol-1-yl)propan-1-ol
CID 71246104
2-heptadec-1-enyl-4,5-dihydroimidazol-1-amine
CID 70356850
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)-dodec-7-enyl]-4,5-dihydroimidazol-1-yl]ethanamine
CID 101323033
1-aminoethyl 2-(2-heptadec-1-enyl-4,5-dihydroimidazol-1-yl)acetate
CID 141398729
1-butyl-2-[(E)-heptadec-1-enyl]-4,5-dihydroimidazole
CID 19010192
2-[2-[(E)-octadec-1-enyl]-4,5-dihydroimidazol-1-yl]ethanamine
CID 101323609

Frequently Asked Questions

What is the IUPAC name of 1-(2-octadec-1-enyl-4,5-dihydroimidazol-1-yl)ethanamine?
The IUPAC name of 1-(2-octadec-1-enyl-4,5-dihydroimidazol-1-yl)ethanamine (CID 163477068) is 1-(2-octadec-1-enyl-4,5-dihydroimidazol-1-yl)ethanamine.
What is the SMILES notation for 1-(2-octadec-1-enyl-4,5-dihydroimidazol-1-yl)ethanamine?
The canonical SMILES for 1-(2-octadec-1-enyl-4,5-dihydroimidazol-1-yl)ethanamine is CCCCCCCCCCCCCCCCC=CC1=NCCN1C(C)N.
What is the InChIKey of 1-(2-octadec-1-enyl-4,5-dihydroimidazol-1-yl)ethanamine?
The InChIKey is CBJCECMYKWERDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H45N3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-25-20-21-26(23)22(2)24/h18-19,22H,3-17,20-21,24H2,1-2H3.
What are the key properties of 1-(2-octadec-1-enyl-4,5-dihydroimidazol-1-yl)ethanamine?
1-(2-octadec-1-enyl-4,5-dihydroimidazol-1-yl)ethanamine has a molecular weight of 363.63 g/mol, XLogP of 6.43, 17 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-octadec-1-enyl-4,5-dihydroimidazol-1-yl)ethanamine is sourced from PubChem (CID 163477068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).