5,5,5-trifluoro-N-[(3-propan-2-ylimidazol-4-yl)methyl]pentan-1-amine

C12H20F3N3 — CID 113327104

IUPAC5,5,5-trifluoro-N-[(3-propan-2-ylimidazol-4-yl)methyl]pentan-1-amine
SMILESCC(C)n1cncc1CNCCCCC(F)(F)F
InChIInChI=1S/C12H20F3N3/c1-10(2)18-9-17-8-11(18)7-16-6-4-3-5-12(13,14)15/h8-10,16H,3-7H2,1-2H3
InChIKeyRCTGSUPVVIUORI-UHFFFAOYSA-N
MW263.31 g/mol
LogP3.29
Rot. Bonds7

About 5,5,5-trifluoro-N-[(3-propan-2-ylimidazol-4-yl)methyl]pentan-1-amine

5,5,5-trifluoro-N-[(3-propan-2-ylimidazol-4-yl)methyl]pentan-1-amine (PubChem CID 113327104) has the molecular formula C12H20F3N3 and a molecular weight of 263.31 g/mol. Its IUPAC name is 5,5,5-trifluoro-N-[(3-propan-2-ylimidazol-4-yl)methyl]pentan-1-amine.

Molecular Properties

Compound Name5,5,5-trifluoro-N-[(3-propan-2-ylimidazol-4-yl)methyl]pentan-1-amine
PubChem CID113327104
Molecular FormulaC12H20F3N3
Molecular Weight263.31 g/mol
Exact Mass263.16
IUPAC Name5,5,5-trifluoro-N-[(3-propan-2-ylimidazol-4-yl)methyl]pentan-1-amine
SMILESCC(C)n1cncc1CNCCCCC(F)(F)F
InChIInChI=1S/C12H20F3N3/c1-10(2)18-9-17-8-11(18)7-16-6-4-3-5-12(13,14)15/h8-10,16H,3-7H2,1-2H3
InChIKeyRCTGSUPVVIUORI-UHFFFAOYSA-N
XLogP3.29
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.31
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-[(3-propan-2-ylimidazol-4-yl)methyl]butane-1,4-diamine
CID 66132309
N'-[(3-propan-2-ylimidazol-4-yl)methyl]propane-1,3-diamine
CID 66132307
N-[(3-ethylimidazol-4-yl)methyl]-4,4,4-trifluorobutan-1-amine
CID 115516463
3-phenoxy-N-[(3-propan-2-ylimidazol-4-yl)methyl]propan-1-amine
CID 66163380
N-ethyl-N-[3-[(3-propan-2-ylimidazol-4-yl)methylamino]propyl]methanesulfonamide
CID 66164749
3,3,3-trifluoro-N-[(3-methylimidazol-4-yl)methyl]propan-1-amine
CID 66116451
2-methyl-1-[(3-propan-2-ylimidazol-4-yl)methylamino]pentan-2-ol
CID 114169219
N-[(3-heptan-2-ylimidazol-4-yl)methyl]propan-1-amine
CID 66148416
N-[(3-propan-2-ylimidazol-4-yl)methyl]-2-thiophen-2-ylethanamine
CID 66131471
N-cyclopropyl-3-[(3-propan-2-ylimidazol-4-yl)methylamino]propanamide
CID 79385761
2,4,5-trifluoro-N-[(3-propan-2-ylimidazol-4-yl)methyl]aniline
CID 66162980
3-methyl-4-[(3-propan-2-ylimidazol-4-yl)methylamino]butan-1-ol
CID 66164185

Frequently Asked Questions

What is the IUPAC name of 5,5,5-trifluoro-N-[(3-propan-2-ylimidazol-4-yl)methyl]pentan-1-amine?
The IUPAC name of 5,5,5-trifluoro-N-[(3-propan-2-ylimidazol-4-yl)methyl]pentan-1-amine (CID 113327104) is 5,5,5-trifluoro-N-[(3-propan-2-ylimidazol-4-yl)methyl]pentan-1-amine.
What is the SMILES notation for 5,5,5-trifluoro-N-[(3-propan-2-ylimidazol-4-yl)methyl]pentan-1-amine?
The canonical SMILES for 5,5,5-trifluoro-N-[(3-propan-2-ylimidazol-4-yl)methyl]pentan-1-amine is CC(C)n1cncc1CNCCCCC(F)(F)F.
What is the InChIKey of 5,5,5-trifluoro-N-[(3-propan-2-ylimidazol-4-yl)methyl]pentan-1-amine?
The InChIKey is RCTGSUPVVIUORI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3N3/c1-10(2)18-9-17-8-11(18)7-16-6-4-3-5-12(13,14)15/h8-10,16H,3-7H2,1-2H3.
What are the key properties of 5,5,5-trifluoro-N-[(3-propan-2-ylimidazol-4-yl)methyl]pentan-1-amine?
5,5,5-trifluoro-N-[(3-propan-2-ylimidazol-4-yl)methyl]pentan-1-amine has a molecular weight of 263.31 g/mol, XLogP of 3.29, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,5-trifluoro-N-[(3-propan-2-ylimidazol-4-yl)methyl]pentan-1-amine is sourced from PubChem (CID 113327104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).