N-[2-(2-ethylimidazol-1-yl)ethyl]-2,2,2-trifluoroethanamine

C9H14F3N3 — CID 62565129

IUPACN-[2-(2-ethylimidazol-1-yl)ethyl]-2,2,2-trifluoroethanamine
SMILESCCc1nccn1CCNCC(F)(F)F
InChIInChI=1S/C9H14F3N3/c1-2-8-14-4-6-15(8)5-3-13-7-9(10,11)12/h4,6,13H,2-3,5,7H2,1H3
InChIKeyUUKKIHHQARKGMT-UHFFFAOYSA-N
MW221.23 g/mol
LogP1.60
Rot. Bonds5

About N-[2-(2-ethylimidazol-1-yl)ethyl]-2,2,2-trifluoroethanamine

N-[2-(2-ethylimidazol-1-yl)ethyl]-2,2,2-trifluoroethanamine (PubChem CID 62565129) has the molecular formula C9H14F3N3 and a molecular weight of 221.23 g/mol. Its IUPAC name is N-[2-(2-ethylimidazol-1-yl)ethyl]-2,2,2-trifluoroethanamine.

Molecular Properties

Compound NameN-[2-(2-ethylimidazol-1-yl)ethyl]-2,2,2-trifluoroethanamine
PubChem CID62565129
Molecular FormulaC9H14F3N3
Molecular Weight221.23 g/mol
Exact Mass221.11
IUPAC NameN-[2-(2-ethylimidazol-1-yl)ethyl]-2,2,2-trifluoroethanamine
SMILESCCc1nccn1CCNCC(F)(F)F
InChIInChI=1S/C9H14F3N3/c1-2-8-14-4-6-15(8)5-3-13-7-9(10,11)12/h4,6,13H,2-3,5,7H2,1H3
InChIKeyUUKKIHHQARKGMT-UHFFFAOYSA-N
XLogP1.60
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.23
LogP ≤ 51.60
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-(cyclopentylmethyl)-2-(2-ethylimidazol-1-yl)ethanamine
CID 62567010
2-ethyl-1-[2-(trifluoromethylsulfanyl)ethyl]imidazole
CID 116618214
2-ethyl-1-[6-(2-ethylimidazol-1-yl)hexyl]imidazole
CID 132598751
N-[2-(2-ethylimidazol-1-yl)ethyl]-3-methylbutan-2-amine
CID 62565130
4-(2-ethylimidazol-1-yl)-N-propylbutan-1-amine
CID 62440432
1-(1-ethylimidazol-2-yl)-3-(2,2,2-trifluoroethylamino)propan-2-one
CID 116588500
3-(2-ethylimidazol-1-yl)propanal
CID 63040378
5,5,5-trifluoro-N-[(1-propylimidazol-2-yl)methyl]pentan-1-amine
CID 113327188
3-(2-ethylimidazol-1-yl)-N-(2-methoxyethyl)propan-1-amine
CID 62566094
2,2-dimethyl-N-[2-(2-methylimidazol-1-yl)ethyl]propan-1-amine
CID 61493565
2-methyl-1-(propylamino)-3-(1-propylimidazol-2-yl)propan-2-ol
CID 79760722
N-[2-(2-ethylimidazol-1-yl)ethyl]heptan-2-amine
CID 62565525

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-ethylimidazol-1-yl)ethyl]-2,2,2-trifluoroethanamine?
The IUPAC name of N-[2-(2-ethylimidazol-1-yl)ethyl]-2,2,2-trifluoroethanamine (CID 62565129) is N-[2-(2-ethylimidazol-1-yl)ethyl]-2,2,2-trifluoroethanamine.
What is the SMILES notation for N-[2-(2-ethylimidazol-1-yl)ethyl]-2,2,2-trifluoroethanamine?
The canonical SMILES for N-[2-(2-ethylimidazol-1-yl)ethyl]-2,2,2-trifluoroethanamine is CCc1nccn1CCNCC(F)(F)F.
What is the InChIKey of N-[2-(2-ethylimidazol-1-yl)ethyl]-2,2,2-trifluoroethanamine?
The InChIKey is UUKKIHHQARKGMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3N3/c1-2-8-14-4-6-15(8)5-3-13-7-9(10,11)12/h4,6,13H,2-3,5,7H2,1H3.
What are the key properties of N-[2-(2-ethylimidazol-1-yl)ethyl]-2,2,2-trifluoroethanamine?
N-[2-(2-ethylimidazol-1-yl)ethyl]-2,2,2-trifluoroethanamine has a molecular weight of 221.23 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-ethylimidazol-1-yl)ethyl]-2,2,2-trifluoroethanamine is sourced from PubChem (CID 62565129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).