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

C22H43N3 — CID 66689993

IUPAC1-(2-heptadec-1-enyl-4,5-dihydroimidazol-1-yl)ethanamine
SMILESCCCCCCCCCCCCCCCC=CC1=NCCN1C(C)N
InChIInChI=1S/C22H43N3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-24-19-20-25(22)21(2)23/h17-18,21H,3-16,19-20,23H2,1-2H3
InChIKeyWNFLISJMNZHULU-UHFFFAOYSA-N
MW349.61 g/mol
LogP6.04
Rot. Bonds16

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

1-(2-heptadec-1-enyl-4,5-dihydroimidazol-1-yl)ethanamine (PubChem CID 66689993) has the molecular formula C22H43N3 and a molecular weight of 349.61 g/mol. Its IUPAC name is 1-(2-heptadec-1-enyl-4,5-dihydroimidazol-1-yl)ethanamine.

Molecular Properties

Compound Name1-(2-heptadec-1-enyl-4,5-dihydroimidazol-1-yl)ethanamine
PubChem CID66689993
Molecular FormulaC22H43N3
Molecular Weight349.61 g/mol
Exact Mass349.35
IUPAC Name1-(2-heptadec-1-enyl-4,5-dihydroimidazol-1-yl)ethanamine
SMILESCCCCCCCCCCCCCCCC=CC1=NCCN1C(C)N
InChIInChI=1S/C22H43N3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-24-19-20-25(22)21(2)23/h17-18,21H,3-16,19-20,23H2,1-2H3
InChIKeyWNFLISJMNZHULU-UHFFFAOYSA-N
XLogP6.04
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.61
LogP ≤ 56.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-heptadec-1-enyl-4,5-dihydroimidazol-1-yl)ethanamine?
The IUPAC name of 1-(2-heptadec-1-enyl-4,5-dihydroimidazol-1-yl)ethanamine (CID 66689993) is 1-(2-heptadec-1-enyl-4,5-dihydroimidazol-1-yl)ethanamine.
What is the SMILES notation for 1-(2-heptadec-1-enyl-4,5-dihydroimidazol-1-yl)ethanamine?
The canonical SMILES for 1-(2-heptadec-1-enyl-4,5-dihydroimidazol-1-yl)ethanamine is CCCCCCCCCCCCCCCC=CC1=NCCN1C(C)N.
What is the InChIKey of 1-(2-heptadec-1-enyl-4,5-dihydroimidazol-1-yl)ethanamine?
The InChIKey is WNFLISJMNZHULU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H43N3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-24-19-20-25(22)21(2)23/h17-18,21H,3-16,19-20,23H2,1-2H3.
What are the key properties of 1-(2-heptadec-1-enyl-4,5-dihydroimidazol-1-yl)ethanamine?
1-(2-heptadec-1-enyl-4,5-dihydroimidazol-1-yl)ethanamine has a molecular weight of 349.61 g/mol, XLogP of 6.04, 16 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-heptadec-1-enyl-4,5-dihydroimidazol-1-yl)ethanamine is sourced from PubChem (CID 66689993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).