2-[2-[(E)-oct-3-enyl]-4,5-dihydroimidazol-1-yl]ethanamine

C13H25N3 — CID 101322846

IUPAC2-[2-[(E)-oct-3-enyl]-4,5-dihydroimidazol-1-yl]ethanamine
SMILESCCCC/C=C/CCC1=NCCN1CCN
InChIInChI=1S/C13H25N3/c1-2-3-4-5-6-7-8-13-15-10-12-16(13)11-9-14/h5-6H,2-4,7-12,14H2,1H3/b6-5+
InChIKeyXJBAGGKGHJDBTC-AATRIKPKSA-N
MW223.36 g/mol
LogP2.19
Rot. Bonds8

About 2-[2-[(E)-oct-3-enyl]-4,5-dihydroimidazol-1-yl]ethanamine

2-[2-[(E)-oct-3-enyl]-4,5-dihydroimidazol-1-yl]ethanamine (PubChem CID 101322846) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is 2-[2-[(E)-oct-3-enyl]-4,5-dihydroimidazol-1-yl]ethanamine.

Molecular Properties

Compound Name2-[2-[(E)-oct-3-enyl]-4,5-dihydroimidazol-1-yl]ethanamine
PubChem CID101322846
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC Name2-[2-[(E)-oct-3-enyl]-4,5-dihydroimidazol-1-yl]ethanamine
SMILESCCCC/C=C/CCC1=NCCN1CCN
InChIInChI=1S/C13H25N3/c1-2-3-4-5-6-7-8-13-15-10-12-16(13)11-9-14/h5-6H,2-4,7-12,14H2,1H3/b6-5+
InChIKeyXJBAGGKGHJDBTC-AATRIKPKSA-N
XLogP2.19
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.19
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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Related Compounds

1H-Imidazole-1-ethanamine, 2-(8-heptadecen-1-yl)-4,5-dihydro-
CID 6437219
(Z)-2-(8-heptadecenyl)-4,5-dihydro-1H-imidazole-1-ethylamine
CID 6436525
2-(2-Heptadec-8-enyl-4,5-dihydroimidazol-1-yl)ethanamine
CID 88595
N-(2-Aminoethyl)-N'-(2-(2-(8Z)-8-heptadecenyl-4,5-dihydro-1H-imidazol-1-yl)ethyl)1,2-ethanediamine
CID 22833348
N-(2-Aminoethyl)-N'-(2-(2-(8-heptadecenyl)-4,5-dihydro-1H-imidazol-1-yl)ethyl)ethylenediamine
CID 6437097
(Z)-N-[2-[2-(8-heptadecenyl)-4,5-dihydro-1H-imidazol-1-yl]ethyl]ethylenediamine
CID 6436526
2-(Octadec-9-EN-1-YL)-4,5-dihydro-1H-imidazole
CID 62631
Heptadecenylimidazoline
CID 6435860
1H-Imidazole, 4,5-dihydro-2-(9Z)-9-octadecenyl-
CID 6435905
Oleyl imidazoline
CID 6436530
2-(2-Undec-1-enyl-4,5-dihydroimidazol-1-yl)ethanamine
CID 170849372
N~1~-{2-[2-(Heptadec-8-en-1-yl)-4,5-dihydro-1H-imidazol-1-yl]ethyl}ethane-1,2-diamine
CID 88596

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(E)-oct-3-enyl]-4,5-dihydroimidazol-1-yl]ethanamine?
The IUPAC name of 2-[2-[(E)-oct-3-enyl]-4,5-dihydroimidazol-1-yl]ethanamine (CID 101322846) is 2-[2-[(E)-oct-3-enyl]-4,5-dihydroimidazol-1-yl]ethanamine.
What is the SMILES notation for 2-[2-[(E)-oct-3-enyl]-4,5-dihydroimidazol-1-yl]ethanamine?
The canonical SMILES for 2-[2-[(E)-oct-3-enyl]-4,5-dihydroimidazol-1-yl]ethanamine is CCCC/C=C/CCC1=NCCN1CCN.
What is the InChIKey of 2-[2-[(E)-oct-3-enyl]-4,5-dihydroimidazol-1-yl]ethanamine?
The InChIKey is XJBAGGKGHJDBTC-AATRIKPKSA-N. The full InChI is InChI=1S/C13H25N3/c1-2-3-4-5-6-7-8-13-15-10-12-16(13)11-9-14/h5-6H,2-4,7-12,14H2,1H3/b6-5+.
What are the key properties of 2-[2-[(E)-oct-3-enyl]-4,5-dihydroimidazol-1-yl]ethanamine?
2-[2-[(E)-oct-3-enyl]-4,5-dihydroimidazol-1-yl]ethanamine has a molecular weight of 223.36 g/mol, XLogP of 2.19, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(E)-oct-3-enyl]-4,5-dihydroimidazol-1-yl]ethanamine is sourced from PubChem (CID 101322846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).