1-(2-octyl-4,5-dihydroimidazol-1-yl)ethanamine;2-undecyl-4,5-dihydro-1H-imidazole

C27H55N5 — CID 160698927

IUPAC1-(2-octyl-4,5-dihydroimidazol-1-yl)ethanamine;2-undecyl-4,5-dihydro-1H-imidazole
SMILESCCCCCCCCC1=NCCN1C(C)N.CCCCCCCCCCCC1=NCCN1
InChIInChI=1S/C14H28N2.C13H27N3/c1-2-3-4-5-6-7-8-9-10-11-14-15-12-13-16-14;1-3-4-5-6-7-8-9-13-15-10-11-16(13)12(2)14/h2-13H2,1H3,(H,15,16);12H,3-11,14H2,1-2H3
InChIKeyRQIYCGFNIZMRTL-UHFFFAOYSA-N
MW449.77 g/mol
LogP6.66
Rot. Bonds18

About 1-(2-octyl-4,5-dihydroimidazol-1-yl)ethanamine;2-undecyl-4,5-dihydro-1H-imidazole

1-(2-octyl-4,5-dihydroimidazol-1-yl)ethanamine;2-undecyl-4,5-dihydro-1H-imidazole (PubChem CID 160698927) has the molecular formula C27H55N5 and a molecular weight of 449.77 g/mol. Its IUPAC name is 1-(2-octyl-4,5-dihydroimidazol-1-yl)ethanamine;2-undecyl-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name1-(2-octyl-4,5-dihydroimidazol-1-yl)ethanamine;2-undecyl-4,5-dihydro-1H-imidazole
PubChem CID160698927
Molecular FormulaC27H55N5
Molecular Weight449.77 g/mol
Exact Mass449.45
IUPAC Name1-(2-octyl-4,5-dihydroimidazol-1-yl)ethanamine;2-undecyl-4,5-dihydro-1H-imidazole
SMILESCCCCCCCCC1=NCCN1C(C)N.CCCCCCCCCCCC1=NCCN1
InChIInChI=1S/C14H28N2.C13H27N3/c1-2-3-4-5-6-7-8-9-10-11-14-15-12-13-16-14;1-3-4-5-6-7-8-9-13-15-10-11-16(13)12(2)14/h2-13H2,1H3,(H,15,16);12H,3-11,14H2,1-2H3
InChIKeyRQIYCGFNIZMRTL-UHFFFAOYSA-N
XLogP6.66
TPSA66.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds18
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.77
LogP ≤ 56.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(2-decyl-4,5-dihydroimidazol-1-yl)ethanamine
CID 57179033
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)-dodec-7-enyl]-4,5-dihydroimidazol-1-yl]ethanamine
CID 101323033
2-nonyl-1-propan-2-yl-4,5-dihydroimidazole
CID 19844003
1-[2-[(E)-octadec-3-enyl]-4,5-dihydroimidazol-1-yl]ethanamine
CID 101323561
1-(2-hexadecyl-4,5-dihydroimidazol-1-yl)ethanol;dihydrofluoride
CID 57453852
1-[2-[(E)-tetradec-11-enyl]-4,5-dihydroimidazol-1-yl]ethanamine
CID 101323229
1-(2-pentadec-14-enyl-4,5-dihydroimidazol-1-yl)ethanamine
CID 101323310
2-[(Z)-octadec-9-enyl]-4,5-dihydro-1H-imidazole;hydrochloride
CID 66957865
1-[2-[(E)-undec-2-enyl]-4,5-dihydroimidazol-1-yl]ethanamine
CID 101322968
1-(2-decyl-4,5-dihydroimidazol-1-yl)propan-1-ol
CID 70256872

Frequently Asked Questions

What is the IUPAC name of 1-(2-octyl-4,5-dihydroimidazol-1-yl)ethanamine;2-undecyl-4,5-dihydro-1H-imidazole?
The IUPAC name of 1-(2-octyl-4,5-dihydroimidazol-1-yl)ethanamine;2-undecyl-4,5-dihydro-1H-imidazole (CID 160698927) is 1-(2-octyl-4,5-dihydroimidazol-1-yl)ethanamine;2-undecyl-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 1-(2-octyl-4,5-dihydroimidazol-1-yl)ethanamine;2-undecyl-4,5-dihydro-1H-imidazole?
The canonical SMILES for 1-(2-octyl-4,5-dihydroimidazol-1-yl)ethanamine;2-undecyl-4,5-dihydro-1H-imidazole is CCCCCCCCC1=NCCN1C(C)N.CCCCCCCCCCCC1=NCCN1.
What is the InChIKey of 1-(2-octyl-4,5-dihydroimidazol-1-yl)ethanamine;2-undecyl-4,5-dihydro-1H-imidazole?
The InChIKey is RQIYCGFNIZMRTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2.C13H27N3/c1-2-3-4-5-6-7-8-9-10-11-14-15-12-13-16-14;1-3-4-5-6-7-8-9-13-15-10-11-16(13)12(2)14/h2-13H2,1H3,(H,15,16);12H,3-11,14H2,1-2H3.
What are the key properties of 1-(2-octyl-4,5-dihydroimidazol-1-yl)ethanamine;2-undecyl-4,5-dihydro-1H-imidazole?
1-(2-octyl-4,5-dihydroimidazol-1-yl)ethanamine;2-undecyl-4,5-dihydro-1H-imidazole has a molecular weight of 449.77 g/mol, XLogP of 6.66, 18 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-octyl-4,5-dihydroimidazol-1-yl)ethanamine;2-undecyl-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 160698927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).