2-(2-undec-8-enyl-4,5-dihydroimidazol-1-yl)ethanamine

C16H31N3 — CID 170848092

IUPAC2-(2-undec-8-enyl-4,5-dihydroimidazol-1-yl)ethanamine
SMILESCCC=CCCCCCCCC1=NCCN1CCN
InChIInChI=1S/C16H31N3/c1-2-3-4-5-6-7-8-9-10-11-16-18-13-15-19(16)14-12-17/h3-4H,2,5-15,17H2,1H3
InChIKeyOSZRSGZPLKEIOL-UHFFFAOYSA-N
MW265.44 g/mol
LogP3.36
Rot. Bonds11

About 2-(2-undec-8-enyl-4,5-dihydroimidazol-1-yl)ethanamine

2-(2-undec-8-enyl-4,5-dihydroimidazol-1-yl)ethanamine (PubChem CID 170848092) has the molecular formula C16H31N3 and a molecular weight of 265.44 g/mol. Its IUPAC name is 2-(2-undec-8-enyl-4,5-dihydroimidazol-1-yl)ethanamine.

Molecular Properties

Compound Name2-(2-undec-8-enyl-4,5-dihydroimidazol-1-yl)ethanamine
PubChem CID170848092
Molecular FormulaC16H31N3
Molecular Weight265.44 g/mol
Exact Mass265.25
IUPAC Name2-(2-undec-8-enyl-4,5-dihydroimidazol-1-yl)ethanamine
SMILESCCC=CCCCCCCCC1=NCCN1CCN
InChIInChI=1S/C16H31N3/c1-2-3-4-5-6-7-8-9-10-11-16-18-13-15-19(16)14-12-17/h3-4H,2,5-15,17H2,1H3
InChIKeyOSZRSGZPLKEIOL-UHFFFAOYSA-N
XLogP3.36
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 53.36
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 2-(2-undec-8-enyl-4,5-dihydroimidazol-1-yl)ethanamine?
The IUPAC name of 2-(2-undec-8-enyl-4,5-dihydroimidazol-1-yl)ethanamine (CID 170848092) is 2-(2-undec-8-enyl-4,5-dihydroimidazol-1-yl)ethanamine.
What is the SMILES notation for 2-(2-undec-8-enyl-4,5-dihydroimidazol-1-yl)ethanamine?
The canonical SMILES for 2-(2-undec-8-enyl-4,5-dihydroimidazol-1-yl)ethanamine is CCC=CCCCCCCCC1=NCCN1CCN.
What is the InChIKey of 2-(2-undec-8-enyl-4,5-dihydroimidazol-1-yl)ethanamine?
The InChIKey is OSZRSGZPLKEIOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3/c1-2-3-4-5-6-7-8-9-10-11-16-18-13-15-19(16)14-12-17/h3-4H,2,5-15,17H2,1H3.
What are the key properties of 2-(2-undec-8-enyl-4,5-dihydroimidazol-1-yl)ethanamine?
2-(2-undec-8-enyl-4,5-dihydroimidazol-1-yl)ethanamine has a molecular weight of 265.44 g/mol, XLogP of 3.36, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-undec-8-enyl-4,5-dihydroimidazol-1-yl)ethanamine is sourced from PubChem (CID 170848092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).