2-[2-[(E)-tridec-2-enyl]-2,4-dihydroimidazol-3-yl]ethanamine

C18H35N3 — CID 101323196

IUPAC2-[2-[(E)-tridec-2-enyl]-2,4-dihydroimidazol-3-yl]ethanamine
SMILESCCCCCCCCCC/C=C/CC1N=CCN1CCN
InChIInChI=1S/C18H35N3/c1-2-3-4-5-6-7-8-9-10-11-12-13-18-20-15-17-21(18)16-14-19/h11-12,15,18H,2-10,13-14,16-17,19H2,1H3/b12-11+
InChIKeyGNYCRYYVJBGAEB-VAWYXSNFSA-N
MW293.50 g/mol
LogP4.13
Rot. Bonds13

About 2-[2-[(E)-tridec-2-enyl]-2,4-dihydroimidazol-3-yl]ethanamine

2-[2-[(E)-tridec-2-enyl]-2,4-dihydroimidazol-3-yl]ethanamine (PubChem CID 101323196) has the molecular formula C18H35N3 and a molecular weight of 293.50 g/mol. Its IUPAC name is 2-[2-[(E)-tridec-2-enyl]-2,4-dihydroimidazol-3-yl]ethanamine.

Molecular Properties

Compound Name2-[2-[(E)-tridec-2-enyl]-2,4-dihydroimidazol-3-yl]ethanamine
PubChem CID101323196
Molecular FormulaC18H35N3
Molecular Weight293.50 g/mol
Exact Mass293.28
IUPAC Name2-[2-[(E)-tridec-2-enyl]-2,4-dihydroimidazol-3-yl]ethanamine
SMILESCCCCCCCCCC/C=C/CC1N=CCN1CCN
InChIInChI=1S/C18H35N3/c1-2-3-4-5-6-7-8-9-10-11-12-13-18-20-15-17-21(18)16-14-19/h11-12,15,18H,2-10,13-14,16-17,19H2,1H3/b12-11+
InChIKeyGNYCRYYVJBGAEB-VAWYXSNFSA-N
XLogP4.13
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.50
LogP ≤ 54.13
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)-heptadec-2-enyl]-2,4-dihydroimidazol-3-yl]ethanamine
CID 101323530
2-[2-[(E)-dodec-2-enyl]-2,4-dihydroimidazol-3-yl]ethanamine
CID 101323072
2-[2-[(E)-dodec-4-enyl]-2,4-dihydroimidazol-3-yl]ethanamine
CID 101323074
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)-pentadec-10-enyl]-2,4-dihydroimidazol-3-yl]ethanamine
CID 101323362
2-[2-[(E)-oct-3-enyl]-2,4-dihydroimidazol-3-yl]ethanamine
CID 101322853
2-[2-[(E)-undec-1-enyl]-2,4-dihydroimidazol-3-yl]ethanamine
CID 101323007
2-[2-[(E)-pentadec-9-enyl]-2,4-dihydroimidazol-3-yl]ethanol
CID 101327685
1-[2-[(E)-undec-2-enyl]-2,4-dihydroimidazol-3-yl]ethanamine
CID 101322978
2-(2-pentadec-14-enyl-2,4-dihydroimidazol-3-yl)ethanamine
CID 101323366
2-[2-[(E)-undec-7-enyl]-2,4-dihydroimidazol-3-yl]ethanol
CID 101327543

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(E)-tridec-2-enyl]-2,4-dihydroimidazol-3-yl]ethanamine?
The IUPAC name of 2-[2-[(E)-tridec-2-enyl]-2,4-dihydroimidazol-3-yl]ethanamine (CID 101323196) is 2-[2-[(E)-tridec-2-enyl]-2,4-dihydroimidazol-3-yl]ethanamine.
What is the SMILES notation for 2-[2-[(E)-tridec-2-enyl]-2,4-dihydroimidazol-3-yl]ethanamine?
The canonical SMILES for 2-[2-[(E)-tridec-2-enyl]-2,4-dihydroimidazol-3-yl]ethanamine is CCCCCCCCCC/C=C/CC1N=CCN1CCN.
What is the InChIKey of 2-[2-[(E)-tridec-2-enyl]-2,4-dihydroimidazol-3-yl]ethanamine?
The InChIKey is GNYCRYYVJBGAEB-VAWYXSNFSA-N. The full InChI is InChI=1S/C18H35N3/c1-2-3-4-5-6-7-8-9-10-11-12-13-18-20-15-17-21(18)16-14-19/h11-12,15,18H,2-10,13-14,16-17,19H2,1H3/b12-11+.
What are the key properties of 2-[2-[(E)-tridec-2-enyl]-2,4-dihydroimidazol-3-yl]ethanamine?
2-[2-[(E)-tridec-2-enyl]-2,4-dihydroimidazol-3-yl]ethanamine has a molecular weight of 293.50 g/mol, XLogP of 4.13, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(E)-tridec-2-enyl]-2,4-dihydroimidazol-3-yl]ethanamine is sourced from PubChem (CID 101323196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).