1-(2-heptadec-2-enyl-4,5-dihydro-1H-imidazol-5-yl)ethanamine

C22H43N3 — CID 66692443

IUPAC1-(2-heptadec-2-enyl-4,5-dihydro-1H-imidazol-5-yl)ethanamine
SMILESCCCCCCCCCCCCCCC=CCC1=NCC(C(C)N)N1
InChIInChI=1S/C22H43N3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-24-19-21(25-22)20(2)23/h16-17,20-21H,3-15,18-19,23H2,1-2H3,(H,24,25)
InChIKeyVOLQZSCMWIHLHQ-UHFFFAOYSA-N
MW349.61 g/mol
LogP5.74
Rot. Bonds16

About 1-(2-heptadec-2-enyl-4,5-dihydro-1H-imidazol-5-yl)ethanamine

1-(2-heptadec-2-enyl-4,5-dihydro-1H-imidazol-5-yl)ethanamine (PubChem CID 66692443) has the molecular formula C22H43N3 and a molecular weight of 349.61 g/mol. Its IUPAC name is 1-(2-heptadec-2-enyl-4,5-dihydro-1H-imidazol-5-yl)ethanamine.

Molecular Properties

Compound Name1-(2-heptadec-2-enyl-4,5-dihydro-1H-imidazol-5-yl)ethanamine
PubChem CID66692443
Molecular FormulaC22H43N3
Molecular Weight349.61 g/mol
Exact Mass349.35
IUPAC Name1-(2-heptadec-2-enyl-4,5-dihydro-1H-imidazol-5-yl)ethanamine
SMILESCCCCCCCCCCCCCCC=CCC1=NCC(C(C)N)N1
InChIInChI=1S/C22H43N3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-24-19-21(25-22)20(2)23/h16-17,20-21H,3-15,18-19,23H2,1-2H3,(H,24,25)
InChIKeyVOLQZSCMWIHLHQ-UHFFFAOYSA-N
XLogP5.74
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.61
LogP ≤ 55.74
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-heptadec-2-enyl-4,5-dihydro-1H-imidazol-5-yl)ethanol
CID 54324599
1-[2-[(E)-undec-2-enyl]-4,5-dihydroimidazol-1-yl]ethanamine
CID 101322968
2-[5-[(Z)-octadec-9-enyl]-4,5-dihydro-1H-imidazol-2-yl]ethanol
CID 66623851
2-heptadeca-1,3-dienyl-5-heptadec-1-enyl-4,5-dihydro-1H-imidazole
CID 54452032
(E)-dodec-4-en-2-amine
CID 55254669
(E)-hexadec-6-ene
CID 5352260
(Z)-docos-9-ene
CID 11690102
(E)-hexacos-10-ene
CID 22172169
(E)-nonacos-10-ene
CID 14367300
tetratriacont-8-ene
CID 123670593
(E)-icos-10-ene
CID 10468895
heptatriacont-13-ene
CID 71378710

Frequently Asked Questions

What is the IUPAC name of 1-(2-heptadec-2-enyl-4,5-dihydro-1H-imidazol-5-yl)ethanamine?
The IUPAC name of 1-(2-heptadec-2-enyl-4,5-dihydro-1H-imidazol-5-yl)ethanamine (CID 66692443) is 1-(2-heptadec-2-enyl-4,5-dihydro-1H-imidazol-5-yl)ethanamine.
What is the SMILES notation for 1-(2-heptadec-2-enyl-4,5-dihydro-1H-imidazol-5-yl)ethanamine?
The canonical SMILES for 1-(2-heptadec-2-enyl-4,5-dihydro-1H-imidazol-5-yl)ethanamine is CCCCCCCCCCCCCCC=CCC1=NCC(C(C)N)N1.
What is the InChIKey of 1-(2-heptadec-2-enyl-4,5-dihydro-1H-imidazol-5-yl)ethanamine?
The InChIKey is VOLQZSCMWIHLHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H43N3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-24-19-21(25-22)20(2)23/h16-17,20-21H,3-15,18-19,23H2,1-2H3,(H,24,25).
What are the key properties of 1-(2-heptadec-2-enyl-4,5-dihydro-1H-imidazol-5-yl)ethanamine?
1-(2-heptadec-2-enyl-4,5-dihydro-1H-imidazol-5-yl)ethanamine has a molecular weight of 349.61 g/mol, XLogP of 5.74, 16 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-heptadec-2-enyl-4,5-dihydro-1H-imidazol-5-yl)ethanamine is sourced from PubChem (CID 66692443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).