2-heptadec-1-enyl-4,5-dihydroimidazol-1-amine

C20H39N3 — CID 70356850

IUPAC2-heptadec-1-enyl-4,5-dihydroimidazol-1-amine
SMILESCCCCCCCCCCCCCCCC=CC1=NCCN1N
InChIInChI=1S/C20H39N3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-22-18-19-23(20)21/h16-17H,2-15,18-19,21H2,1H3
InChIKeyCNIFSAVOALUXQY-UHFFFAOYSA-N
MW321.55 g/mol
LogP5.61
Rot. Bonds15

About 2-heptadec-1-enyl-4,5-dihydroimidazol-1-amine

2-heptadec-1-enyl-4,5-dihydroimidazol-1-amine (PubChem CID 70356850) has the molecular formula C20H39N3 and a molecular weight of 321.55 g/mol. Its IUPAC name is 2-heptadec-1-enyl-4,5-dihydroimidazol-1-amine.

Molecular Properties

Compound Name2-heptadec-1-enyl-4,5-dihydroimidazol-1-amine
PubChem CID70356850
Molecular FormulaC20H39N3
Molecular Weight321.55 g/mol
Exact Mass321.31
IUPAC Name2-heptadec-1-enyl-4,5-dihydroimidazol-1-amine
SMILESCCCCCCCCCCCCCCCC=CC1=NCCN1N
InChIInChI=1S/C20H39N3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-22-18-19-23(20)21/h16-17H,2-15,18-19,21H2,1H3
InChIKeyCNIFSAVOALUXQY-UHFFFAOYSA-N
XLogP5.61
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.55
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-butyl-2-[(E)-heptadec-1-enyl]-4,5-dihydroimidazole
CID 19010192
2-(2-undec-1-enyl-4,5-dihydroimidazol-1-yl)ethanamine
CID 170849372
1-(2-octadec-1-enyl-4,5-dihydroimidazol-1-yl)ethanamine
CID 163477068
1-[2-[(E)-pentadec-1-enyl]-4,5-dihydroimidazol-1-yl]ethanamine
CID 101323297
2-[2-[(E)-octadec-1-enyl]-4,5-dihydroimidazol-1-yl]ethanamine
CID 101323609
2-[(E)-heptadec-1-enyl]-1-propan-2-yl-4,5-dihydroimidazole
CID 23051834
2-(2-hexadec-1-enyl-4,5-dihydroimidazol-1-yl)ethanol
CID 141100593
2-[2-[(E)-tridec-1-enyl]-4,5-dihydroimidazol-1-yl]ethanol
CID 101327588
1-(2-octadec-1-enyl-4,5-dihydroimidazol-1-yl)propan-1-ol
CID 71246104
1-aminoethyl 2-(2-heptadec-1-enyl-4,5-dihydroimidazol-1-yl)acetate
CID 141398729
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

Frequently Asked Questions

What is the IUPAC name of 2-heptadec-1-enyl-4,5-dihydroimidazol-1-amine?
The IUPAC name of 2-heptadec-1-enyl-4,5-dihydroimidazol-1-amine (CID 70356850) is 2-heptadec-1-enyl-4,5-dihydroimidazol-1-amine.
What is the SMILES notation for 2-heptadec-1-enyl-4,5-dihydroimidazol-1-amine?
The canonical SMILES for 2-heptadec-1-enyl-4,5-dihydroimidazol-1-amine is CCCCCCCCCCCCCCCC=CC1=NCCN1N.
What is the InChIKey of 2-heptadec-1-enyl-4,5-dihydroimidazol-1-amine?
The InChIKey is CNIFSAVOALUXQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H39N3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-22-18-19-23(20)21/h16-17H,2-15,18-19,21H2,1H3.
What are the key properties of 2-heptadec-1-enyl-4,5-dihydroimidazol-1-amine?
2-heptadec-1-enyl-4,5-dihydroimidazol-1-amine has a molecular weight of 321.55 g/mol, XLogP of 5.61, 15 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-heptadec-1-enyl-4,5-dihydroimidazol-1-amine is sourced from PubChem (CID 70356850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).