2-(2-pentadec-14-enyl-2,4-dihydroimidazol-3-yl)ethanamine

C20H39N3 — CID 101323366

IUPAC2-(2-pentadec-14-enyl-2,4-dihydroimidazol-3-yl)ethanamine
SMILESC=CCCCCCCCCCCCCCC1N=CCN1CCN
InChIInChI=1S/C20H39N3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-22-17-19-23(20)18-16-21/h2,17,20H,1,3-16,18-19,21H2
InChIKeyDEQKJDLDQMIATL-UHFFFAOYSA-N
MW321.55 g/mol
LogP4.91
Rot. Bonds16

About 2-(2-pentadec-14-enyl-2,4-dihydroimidazol-3-yl)ethanamine

2-(2-pentadec-14-enyl-2,4-dihydroimidazol-3-yl)ethanamine (PubChem CID 101323366) has the molecular formula C20H39N3 and a molecular weight of 321.55 g/mol. Its IUPAC name is 2-(2-pentadec-14-enyl-2,4-dihydroimidazol-3-yl)ethanamine.

Molecular Properties

Compound Name2-(2-pentadec-14-enyl-2,4-dihydroimidazol-3-yl)ethanamine
PubChem CID101323366
Molecular FormulaC20H39N3
Molecular Weight321.55 g/mol
Exact Mass321.31
IUPAC Name2-(2-pentadec-14-enyl-2,4-dihydroimidazol-3-yl)ethanamine
SMILESC=CCCCCCCCCCCCCCC1N=CCN1CCN
InChIInChI=1S/C20H39N3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-22-17-19-23(20)18-16-21/h2,17,20H,1,3-16,18-19,21H2
InChIKeyDEQKJDLDQMIATL-UHFFFAOYSA-N
XLogP4.91
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.55
LogP ≤ 54.91
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

2-[2-[(E)-pentadec-10-enyl]-2,4-dihydroimidazol-3-yl]ethanamine
CID 101323362
2-[2-[(E)-octadec-7-enyl]-2,4-dihydroimidazol-3-yl]ethanamine
CID 101323631
2-[2-[(E)-undec-5-enyl]-2,4-dihydroimidazol-3-yl]ethanamine
CID 101323011
2-[2-[(E)-dodec-4-enyl]-2,4-dihydroimidazol-3-yl]ethanamine
CID 101323074
1-(2-hexadec-15-enyl-2,4-dihydroimidazol-3-yl)ethanamine
CID 101323410
2-[2-[(E)-tridec-2-enyl]-2,4-dihydroimidazol-3-yl]ethanamine
CID 101323196
2-[2-[(E)-dodec-2-enyl]-2,4-dihydroimidazol-3-yl]ethanamine
CID 101323072
2-[2-[(E)-pentadec-9-enyl]-2,4-dihydroimidazol-3-yl]ethanol
CID 101327685
2-[2-[(E)-undec-7-enyl]-2,4-dihydroimidazol-3-yl]ethanol
CID 101327543
2-(2-decyl-2,4-dihydroimidazol-3-yl)ethanol
CID 101327445
(2-hept-6-enylcyclohexyl)methanamine
CID 107010667
heptadec-16-en-1-amine
CID 15590771

Frequently Asked Questions

What is the IUPAC name of 2-(2-pentadec-14-enyl-2,4-dihydroimidazol-3-yl)ethanamine?
The IUPAC name of 2-(2-pentadec-14-enyl-2,4-dihydroimidazol-3-yl)ethanamine (CID 101323366) is 2-(2-pentadec-14-enyl-2,4-dihydroimidazol-3-yl)ethanamine.
What is the SMILES notation for 2-(2-pentadec-14-enyl-2,4-dihydroimidazol-3-yl)ethanamine?
The canonical SMILES for 2-(2-pentadec-14-enyl-2,4-dihydroimidazol-3-yl)ethanamine is C=CCCCCCCCCCCCCCC1N=CCN1CCN.
What is the InChIKey of 2-(2-pentadec-14-enyl-2,4-dihydroimidazol-3-yl)ethanamine?
The InChIKey is DEQKJDLDQMIATL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H39N3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-22-17-19-23(20)18-16-21/h2,17,20H,1,3-16,18-19,21H2.
What are the key properties of 2-(2-pentadec-14-enyl-2,4-dihydroimidazol-3-yl)ethanamine?
2-(2-pentadec-14-enyl-2,4-dihydroimidazol-3-yl)ethanamine has a molecular weight of 321.55 g/mol, XLogP of 4.91, 16 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-pentadec-14-enyl-2,4-dihydroimidazol-3-yl)ethanamine is sourced from PubChem (CID 101323366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).