3-(4,5-dihydro-1H-imidazol-2-yl)nonadec-4-en-1-amine

C22H43N3 — CID 67675672

IUPAC3-(4,5-dihydro-1H-imidazol-2-yl)nonadec-4-en-1-amine
SMILESCCCCCCCCCCCCCCC=CC(CCN)C1=NCCN1
InChIInChI=1S/C22H43N3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21(17-18-23)22-24-19-20-25-22/h15-16,21H,2-14,17-20,23H2,1H3,(H,24,25)
InChIKeyMABZLUWRCOSACY-UHFFFAOYSA-N
MW349.61 g/mol
LogP5.60
Rot. Bonds17

About 3-(4,5-dihydro-1H-imidazol-2-yl)nonadec-4-en-1-amine

3-(4,5-dihydro-1H-imidazol-2-yl)nonadec-4-en-1-amine (PubChem CID 67675672) has the molecular formula C22H43N3 and a molecular weight of 349.61 g/mol. Its IUPAC name is 3-(4,5-dihydro-1H-imidazol-2-yl)nonadec-4-en-1-amine.

Molecular Properties

Compound Name3-(4,5-dihydro-1H-imidazol-2-yl)nonadec-4-en-1-amine
PubChem CID67675672
Molecular FormulaC22H43N3
Molecular Weight349.61 g/mol
Exact Mass349.35
IUPAC Name3-(4,5-dihydro-1H-imidazol-2-yl)nonadec-4-en-1-amine
SMILESCCCCCCCCCCCCCCC=CC(CCN)C1=NCCN1
InChIInChI=1S/C22H43N3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21(17-18-23)22-24-19-20-25-22/h15-16,21H,2-14,17-20,23H2,1H3,(H,24,25)
InChIKeyMABZLUWRCOSACY-UHFFFAOYSA-N
XLogP5.60
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 ≤ 55.60
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 3-(4,5-dihydro-1H-imidazol-2-yl)nonadec-4-en-1-amine?
The IUPAC name of 3-(4,5-dihydro-1H-imidazol-2-yl)nonadec-4-en-1-amine (CID 67675672) is 3-(4,5-dihydro-1H-imidazol-2-yl)nonadec-4-en-1-amine.
What is the SMILES notation for 3-(4,5-dihydro-1H-imidazol-2-yl)nonadec-4-en-1-amine?
The canonical SMILES for 3-(4,5-dihydro-1H-imidazol-2-yl)nonadec-4-en-1-amine is CCCCCCCCCCCCCCC=CC(CCN)C1=NCCN1.
What is the InChIKey of 3-(4,5-dihydro-1H-imidazol-2-yl)nonadec-4-en-1-amine?
The InChIKey is MABZLUWRCOSACY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H43N3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21(17-18-23)22-24-19-20-25-22/h15-16,21H,2-14,17-20,23H2,1H3,(H,24,25).
What are the key properties of 3-(4,5-dihydro-1H-imidazol-2-yl)nonadec-4-en-1-amine?
3-(4,5-dihydro-1H-imidazol-2-yl)nonadec-4-en-1-amine has a molecular weight of 349.61 g/mol, XLogP of 5.60, 17 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5-dihydro-1H-imidazol-2-yl)nonadec-4-en-1-amine is sourced from PubChem (CID 67675672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).