3-(4,5-dihydroimidazol-1-yl)nonadec-4-en-1-amine

C22H43N3 — CID 70519020

IUPAC3-(4,5-dihydroimidazol-1-yl)nonadec-4-en-1-amine
SMILESCCCCCCCCCCCCCCC=CC(CCN)N1C=NCC1
InChIInChI=1S/C22H43N3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-22(17-18-23)25-20-19-24-21-25/h15-16,21-22H,2-14,17-20,23H2,1H3
InChIKeyNFJQIVYOFVOYCG-UHFFFAOYSA-N
MW349.61 g/mol
LogP5.70
Rot. Bonds17

About 3-(4,5-dihydroimidazol-1-yl)nonadec-4-en-1-amine

3-(4,5-dihydroimidazol-1-yl)nonadec-4-en-1-amine (PubChem CID 70519020) has the molecular formula C22H43N3 and a molecular weight of 349.61 g/mol. Its IUPAC name is 3-(4,5-dihydroimidazol-1-yl)nonadec-4-en-1-amine.

Molecular Properties

Compound Name3-(4,5-dihydroimidazol-1-yl)nonadec-4-en-1-amine
PubChem CID70519020
Molecular FormulaC22H43N3
Molecular Weight349.61 g/mol
Exact Mass349.35
IUPAC Name3-(4,5-dihydroimidazol-1-yl)nonadec-4-en-1-amine
SMILESCCCCCCCCCCCCCCC=CC(CCN)N1C=NCC1
InChIInChI=1S/C22H43N3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-22(17-18-23)25-20-19-24-21-25/h15-16,21-22H,2-14,17-20,23H2,1H3
InChIKeyNFJQIVYOFVOYCG-UHFFFAOYSA-N
XLogP5.70
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.61
LogP ≤ 55.70
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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Frequently Asked Questions

What is the IUPAC name of 3-(4,5-dihydroimidazol-1-yl)nonadec-4-en-1-amine?
The IUPAC name of 3-(4,5-dihydroimidazol-1-yl)nonadec-4-en-1-amine (CID 70519020) is 3-(4,5-dihydroimidazol-1-yl)nonadec-4-en-1-amine.
What is the SMILES notation for 3-(4,5-dihydroimidazol-1-yl)nonadec-4-en-1-amine?
The canonical SMILES for 3-(4,5-dihydroimidazol-1-yl)nonadec-4-en-1-amine is CCCCCCCCCCCCCCC=CC(CCN)N1C=NCC1.
What is the InChIKey of 3-(4,5-dihydroimidazol-1-yl)nonadec-4-en-1-amine?
The InChIKey is NFJQIVYOFVOYCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H43N3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-22(17-18-23)25-20-19-24-21-25/h15-16,21-22H,2-14,17-20,23H2,1H3.
What are the key properties of 3-(4,5-dihydroimidazol-1-yl)nonadec-4-en-1-amine?
3-(4,5-dihydroimidazol-1-yl)nonadec-4-en-1-amine has a molecular weight of 349.61 g/mol, XLogP of 5.70, 17 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5-dihydroimidazol-1-yl)nonadec-4-en-1-amine is sourced from PubChem (CID 70519020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).