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

C16H31N3 — CID 101322968

IUPAC1-[2-[(E)-undec-2-enyl]-4,5-dihydroimidazol-1-yl]ethanamine
SMILESCCCCCCCC/C=C/CC1=NCCN1C(C)N
InChIInChI=1S/C16H31N3/c1-3-4-5-6-7-8-9-10-11-12-16-18-13-14-19(16)15(2)17/h10-11,15H,3-9,12-14,17H2,1-2H3/b11-10+
InChIKeyNVNIBVJRSQHMCV-ZHACJKMWSA-N
MW265.44 g/mol
LogP3.70
Rot. Bonds10

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

1-[2-[(E)-undec-2-enyl]-4,5-dihydroimidazol-1-yl]ethanamine (PubChem CID 101322968) has the molecular formula C16H31N3 and a molecular weight of 265.44 g/mol. Its IUPAC name is 1-[2-[(E)-undec-2-enyl]-4,5-dihydroimidazol-1-yl]ethanamine.

Molecular Properties

Compound Name1-[2-[(E)-undec-2-enyl]-4,5-dihydroimidazol-1-yl]ethanamine
PubChem CID101322968
Molecular FormulaC16H31N3
Molecular Weight265.44 g/mol
Exact Mass265.25
IUPAC Name1-[2-[(E)-undec-2-enyl]-4,5-dihydroimidazol-1-yl]ethanamine
SMILESCCCCCCCC/C=C/CC1=NCCN1C(C)N
InChIInChI=1S/C16H31N3/c1-3-4-5-6-7-8-9-10-11-12-16-18-13-14-19(16)15(2)17/h10-11,15H,3-9,12-14,17H2,1-2H3/b11-10+
InChIKeyNVNIBVJRSQHMCV-ZHACJKMWSA-N
XLogP3.70
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 53.70
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

1-[2-[(E)-heptadec-11-enyl]-4,5-dihydroimidazol-1-yl]ethanamine
CID 101323480
1-[2-[(E)-pentadec-6-enyl]-4,5-dihydroimidazol-1-yl]ethanamine
CID 101323302
1-[2-[(E)-octadec-3-enyl]-4,5-dihydroimidazol-1-yl]ethanamine
CID 101323561
1-[2-[(E)-dodec-7-enyl]-4,5-dihydroimidazol-1-yl]ethanamine
CID 101323033
1-[2-[(E)-tetradec-11-enyl]-4,5-dihydroimidazol-1-yl]ethanamine
CID 101323229
1-(2-decyl-4,5-dihydroimidazol-1-yl)ethanamine
CID 57179033
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
1-[2-[(E)-hexadec-9-enyl]-4,5-dihydroimidazol-1-yl]ethanol
CID 101328122
1-[2-[(E)-pentadec-6-enyl]-4,5-dihydroimidazol-1-yl]ethanol
CID 101328078
1-(2-octadec-9-enyl-4,5-dihydroimidazol-1-yl)ethanol
CID 67317165
1-[2-[(E)-heptadec-12-enyl]-4,5-dihydroimidazol-1-yl]ethanol
CID 101328167

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(E)-undec-2-enyl]-4,5-dihydroimidazol-1-yl]ethanamine?
The IUPAC name of 1-[2-[(E)-undec-2-enyl]-4,5-dihydroimidazol-1-yl]ethanamine (CID 101322968) is 1-[2-[(E)-undec-2-enyl]-4,5-dihydroimidazol-1-yl]ethanamine.
What is the SMILES notation for 1-[2-[(E)-undec-2-enyl]-4,5-dihydroimidazol-1-yl]ethanamine?
The canonical SMILES for 1-[2-[(E)-undec-2-enyl]-4,5-dihydroimidazol-1-yl]ethanamine is CCCCCCCC/C=C/CC1=NCCN1C(C)N.
What is the InChIKey of 1-[2-[(E)-undec-2-enyl]-4,5-dihydroimidazol-1-yl]ethanamine?
The InChIKey is NVNIBVJRSQHMCV-ZHACJKMWSA-N. The full InChI is InChI=1S/C16H31N3/c1-3-4-5-6-7-8-9-10-11-12-16-18-13-14-19(16)15(2)17/h10-11,15H,3-9,12-14,17H2,1-2H3/b11-10+.
What are the key properties of 1-[2-[(E)-undec-2-enyl]-4,5-dihydroimidazol-1-yl]ethanamine?
1-[2-[(E)-undec-2-enyl]-4,5-dihydroimidazol-1-yl]ethanamine has a molecular weight of 265.44 g/mol, XLogP of 3.70, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(E)-undec-2-enyl]-4,5-dihydroimidazol-1-yl]ethanamine is sourced from PubChem (CID 101322968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).