19-(4,5-dihydro-1H-imidazol-2-yl)nonadec-17-en-2-amine

C22H43N3 — CID 57169148

IUPAC19-(4,5-dihydro-1H-imidazol-2-yl)nonadec-17-en-2-amine
SMILESCC(N)CCCCCCCCCCCCCCC=CCC1=NCCN1
InChIInChI=1S/C22H43N3/c1-21(23)17-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18-22-24-19-20-25-22/h14,16,21H,2-13,15,17-20,23H2,1H3,(H,24,25)
InChIKeyUTHRMZTZOTUDMH-UHFFFAOYSA-N
MW349.61 g/mol
LogP5.74
Rot. Bonds17

About 19-(4,5-dihydro-1H-imidazol-2-yl)nonadec-17-en-2-amine

19-(4,5-dihydro-1H-imidazol-2-yl)nonadec-17-en-2-amine (PubChem CID 57169148) has the molecular formula C22H43N3 and a molecular weight of 349.61 g/mol. Its IUPAC name is 19-(4,5-dihydro-1H-imidazol-2-yl)nonadec-17-en-2-amine.

Molecular Properties

Compound Name19-(4,5-dihydro-1H-imidazol-2-yl)nonadec-17-en-2-amine
PubChem CID57169148
Molecular FormulaC22H43N3
Molecular Weight349.61 g/mol
Exact Mass349.35
IUPAC Name19-(4,5-dihydro-1H-imidazol-2-yl)nonadec-17-en-2-amine
SMILESCC(N)CCCCCCCCCCCCCCC=CCC1=NCCN1
InChIInChI=1S/C22H43N3/c1-21(23)17-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18-22-24-19-20-25-22/h14,16,21H,2-13,15,17-20,23H2,1H3,(H,24,25)
InChIKeyUTHRMZTZOTUDMH-UHFFFAOYSA-N
XLogP5.74
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds17
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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Frequently Asked Questions

What is the IUPAC name of 19-(4,5-dihydro-1H-imidazol-2-yl)nonadec-17-en-2-amine?
The IUPAC name of 19-(4,5-dihydro-1H-imidazol-2-yl)nonadec-17-en-2-amine (CID 57169148) is 19-(4,5-dihydro-1H-imidazol-2-yl)nonadec-17-en-2-amine.
What is the SMILES notation for 19-(4,5-dihydro-1H-imidazol-2-yl)nonadec-17-en-2-amine?
The canonical SMILES for 19-(4,5-dihydro-1H-imidazol-2-yl)nonadec-17-en-2-amine is CC(N)CCCCCCCCCCCCCCC=CCC1=NCCN1.
What is the InChIKey of 19-(4,5-dihydro-1H-imidazol-2-yl)nonadec-17-en-2-amine?
The InChIKey is UTHRMZTZOTUDMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H43N3/c1-21(23)17-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18-22-24-19-20-25-22/h14,16,21H,2-13,15,17-20,23H2,1H3,(H,24,25).
What are the key properties of 19-(4,5-dihydro-1H-imidazol-2-yl)nonadec-17-en-2-amine?
19-(4,5-dihydro-1H-imidazol-2-yl)nonadec-17-en-2-amine has a molecular weight of 349.61 g/mol, XLogP of 5.74, 17 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 19-(4,5-dihydro-1H-imidazol-2-yl)nonadec-17-en-2-amine is sourced from PubChem (CID 57169148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).