5,5,5-trifluoro-N-[(1-propylimidazol-2-yl)methyl]pentan-1-amine

C12H20F3N3 — CID 113327188

IUPAC5,5,5-trifluoro-N-[(1-propylimidazol-2-yl)methyl]pentan-1-amine
SMILESCCCn1ccnc1CNCCCCC(F)(F)F
InChIInChI=1S/C12H20F3N3/c1-2-8-18-9-7-17-11(18)10-16-6-4-3-5-12(13,14)15/h7,9,16H,2-6,8,10H2,1H3
InChIKeySPVOPZINPQAYRI-UHFFFAOYSA-N
MW263.31 g/mol
LogP3.12
Rot. Bonds8

About 5,5,5-trifluoro-N-[(1-propylimidazol-2-yl)methyl]pentan-1-amine

5,5,5-trifluoro-N-[(1-propylimidazol-2-yl)methyl]pentan-1-amine (PubChem CID 113327188) has the molecular formula C12H20F3N3 and a molecular weight of 263.31 g/mol. Its IUPAC name is 5,5,5-trifluoro-N-[(1-propylimidazol-2-yl)methyl]pentan-1-amine.

Molecular Properties

Compound Name5,5,5-trifluoro-N-[(1-propylimidazol-2-yl)methyl]pentan-1-amine
PubChem CID113327188
Molecular FormulaC12H20F3N3
Molecular Weight263.31 g/mol
Exact Mass263.16
IUPAC Name5,5,5-trifluoro-N-[(1-propylimidazol-2-yl)methyl]pentan-1-amine
SMILESCCCn1ccnc1CNCCCCC(F)(F)F
InChIInChI=1S/C12H20F3N3/c1-2-8-18-9-7-17-11(18)10-16-6-4-3-5-12(13,14)15/h7,9,16H,2-6,8,10H2,1H3
InChIKeySPVOPZINPQAYRI-UHFFFAOYSA-N
XLogP3.12
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.31
LogP ≤ 53.12
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'-[(1-propylimidazol-2-yl)methyl]ethane-1,2-diamine
CID 62957721
5-methyl-N-[(1-propylimidazol-2-yl)methyl]hexan-1-amine
CID 115325223
3-methylsulfonyl-N-[(1-propylimidazol-2-yl)methyl]propan-1-amine
CID 55152521
3-propoxy-N-[(1-propylimidazol-2-yl)methyl]propan-1-amine
CID 82941127
2-methyl-N-[[1-(4,4,4-trifluorobutyl)imidazol-2-yl]methyl]propan-2-amine
CID 113326667
6,6,6-trifluoro-2-methyl-1-(1-propylimidazol-2-yl)hexan-2-ol
CID 116535799
N-[(1-ethylimidazol-2-yl)methyl]propan-1-amine
CID 46784352
N-[(1-decylimidazol-2-yl)methyl]propan-1-amine
CID 63409141
N-[(1-hexylimidazol-2-yl)methyl]propan-1-amine
CID 62221809
2-methyl-4-[2-(propylaminomethyl)imidazol-1-yl]butan-2-ol
CID 79355718
2-(4-fluorophenyl)-N-[(1-propylimidazol-2-yl)methyl]ethanamine
CID 46784408
2-imidazol-1-yl-N-[(1-propylimidazol-2-yl)methyl]ethanamine
CID 62956678

Frequently Asked Questions

What is the IUPAC name of 5,5,5-trifluoro-N-[(1-propylimidazol-2-yl)methyl]pentan-1-amine?
The IUPAC name of 5,5,5-trifluoro-N-[(1-propylimidazol-2-yl)methyl]pentan-1-amine (CID 113327188) is 5,5,5-trifluoro-N-[(1-propylimidazol-2-yl)methyl]pentan-1-amine.
What is the SMILES notation for 5,5,5-trifluoro-N-[(1-propylimidazol-2-yl)methyl]pentan-1-amine?
The canonical SMILES for 5,5,5-trifluoro-N-[(1-propylimidazol-2-yl)methyl]pentan-1-amine is CCCn1ccnc1CNCCCCC(F)(F)F.
What is the InChIKey of 5,5,5-trifluoro-N-[(1-propylimidazol-2-yl)methyl]pentan-1-amine?
The InChIKey is SPVOPZINPQAYRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3N3/c1-2-8-18-9-7-17-11(18)10-16-6-4-3-5-12(13,14)15/h7,9,16H,2-6,8,10H2,1H3.
What are the key properties of 5,5,5-trifluoro-N-[(1-propylimidazol-2-yl)methyl]pentan-1-amine?
5,5,5-trifluoro-N-[(1-propylimidazol-2-yl)methyl]pentan-1-amine has a molecular weight of 263.31 g/mol, XLogP of 3.12, 8 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-[(1-propylimidazol-2-yl)methyl]pentan-1-amine is sourced from PubChem (CID 113327188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).