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

C15H29N3 — CID 101322944

IUPAC2-[2-[(E)-dec-5-enyl]-4,5-dihydroimidazol-1-yl]ethanamine
SMILESCCCC/C=C/CCCCC1=NCCN1CCN
InChIInChI=1S/C15H29N3/c1-2-3-4-5-6-7-8-9-10-15-17-12-14-18(15)13-11-16/h5-6H,2-4,7-14,16H2,1H3/b6-5+
InChIKeyXJLODEJDGMWEQV-AATRIKPKSA-N
MW251.42 g/mol
LogP2.97
Rot. Bonds10

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

2-[2-[(E)-dec-5-enyl]-4,5-dihydroimidazol-1-yl]ethanamine (PubChem CID 101322944) has the molecular formula C15H29N3 and a molecular weight of 251.42 g/mol. Its IUPAC name is 2-[2-[(E)-dec-5-enyl]-4,5-dihydroimidazol-1-yl]ethanamine.

Molecular Properties

Compound Name2-[2-[(E)-dec-5-enyl]-4,5-dihydroimidazol-1-yl]ethanamine
PubChem CID101322944
Molecular FormulaC15H29N3
Molecular Weight251.42 g/mol
Exact Mass251.24
IUPAC Name2-[2-[(E)-dec-5-enyl]-4,5-dihydroimidazol-1-yl]ethanamine
SMILESCCCC/C=C/CCCCC1=NCCN1CCN
InChIInChI=1S/C15H29N3/c1-2-3-4-5-6-7-8-9-10-15-17-12-14-18(15)13-11-16/h5-6H,2-4,7-14,16H2,1H3/b6-5+
InChIKeyXJLODEJDGMWEQV-AATRIKPKSA-N
XLogP2.97
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.42
LogP ≤ 52.97
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'}

Analyze 2-[2-[(E)-dec-5-enyl]-4,5-dihydroimidazol-1-yl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-[(E)-heptadec-5-enyl]-4,5-dihydroimidazol-1-yl]ethanamine
CID 101323520
2-[2-[(E)-heptadec-4-enyl]-4,5-dihydroimidazol-1-yl]ethanamine
CID 101323519
2-[2-[(E)-tridec-11-enyl]-4,5-dihydroimidazol-1-yl]ethanamine
CID 101323193
2-[2-[(E)-tridec-6-enyl]-4,5-dihydroimidazol-1-yl]ethanol
CID 101327593
2-[2-[(E)-octadec-5-enyl]-4,5-dihydroimidazol-1-yl]ethanol
CID 101327795
2-[2-[(E)-octadec-10-enyl]-4,5-dihydroimidazol-1-yl]ethanol
CID 101327799
2-[2-[(E)-non-4-enyl]-4,5-dihydroimidazol-1-yl]ethanol
CID 101327479
2-(2-undec-1-enyl-4,5-dihydroimidazol-1-yl)ethanamine
CID 170849372
2-[2-[(E)-octadec-1-enyl]-4,5-dihydroimidazol-1-yl]ethanamine
CID 101323609
acetic acid;2-(2-octadec-9-enyl-4,5-dihydroimidazol-1-yl)ethanol
CID 67710021
2-[2-[(E)-dec-7-enyl]-4,5-dihydroimidazol-1-yl]ethanol
CID 101327506
2-(2-heptadecyl-4,5-dihydroimidazol-1-yl)ethanamine;octadecanoic acid
CID 70551983

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(E)-dec-5-enyl]-4,5-dihydroimidazol-1-yl]ethanamine?
The IUPAC name of 2-[2-[(E)-dec-5-enyl]-4,5-dihydroimidazol-1-yl]ethanamine (CID 101322944) is 2-[2-[(E)-dec-5-enyl]-4,5-dihydroimidazol-1-yl]ethanamine.
What is the SMILES notation for 2-[2-[(E)-dec-5-enyl]-4,5-dihydroimidazol-1-yl]ethanamine?
The canonical SMILES for 2-[2-[(E)-dec-5-enyl]-4,5-dihydroimidazol-1-yl]ethanamine is CCCC/C=C/CCCCC1=NCCN1CCN.
What is the InChIKey of 2-[2-[(E)-dec-5-enyl]-4,5-dihydroimidazol-1-yl]ethanamine?
The InChIKey is XJLODEJDGMWEQV-AATRIKPKSA-N. The full InChI is InChI=1S/C15H29N3/c1-2-3-4-5-6-7-8-9-10-15-17-12-14-18(15)13-11-16/h5-6H,2-4,7-14,16H2,1H3/b6-5+.
What are the key properties of 2-[2-[(E)-dec-5-enyl]-4,5-dihydroimidazol-1-yl]ethanamine?
2-[2-[(E)-dec-5-enyl]-4,5-dihydroimidazol-1-yl]ethanamine has a molecular weight of 251.42 g/mol, XLogP of 2.97, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(E)-dec-5-enyl]-4,5-dihydroimidazol-1-yl]ethanamine is sourced from PubChem (CID 101322944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).