3,3,3-trifluoro-N-(1H-imidazol-2-ylmethyl)propan-1-amine

C7H10F3N3 — CID 63226322

IUPAC3,3,3-trifluoro-N-(1H-imidazol-2-ylmethyl)propan-1-amine
SMILESFC(F)(F)CCNCc1ncc[nH]1
InChIInChI=1S/C7H10F3N3/c8-7(9,10)1-2-11-5-6-12-3-4-13-6/h3-4,11H,1-2,5H2,(H,12,13)
InChIKeyJESJCKXAKQNWTK-UHFFFAOYSA-N
MW193.17 g/mol
LogP1.45
Rot. Bonds4

About 3,3,3-trifluoro-N-(1H-imidazol-2-ylmethyl)propan-1-amine

3,3,3-trifluoro-N-(1H-imidazol-2-ylmethyl)propan-1-amine (PubChem CID 63226322) has the molecular formula C7H10F3N3 and a molecular weight of 193.17 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-(1H-imidazol-2-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name3,3,3-trifluoro-N-(1H-imidazol-2-ylmethyl)propan-1-amine
PubChem CID63226322
Molecular FormulaC7H10F3N3
Molecular Weight193.17 g/mol
Exact Mass193.08
IUPAC Name3,3,3-trifluoro-N-(1H-imidazol-2-ylmethyl)propan-1-amine
SMILESFC(F)(F)CCNCc1ncc[nH]1
InChIInChI=1S/C7H10F3N3/c8-7(9,10)1-2-11-5-6-12-3-4-13-6/h3-4,11H,1-2,5H2,(H,12,13)
InChIKeyJESJCKXAKQNWTK-UHFFFAOYSA-N
XLogP1.45
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.17
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3,3,3-trifluoro-N-(1H-imidazol-2-ylmethyl)propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1H-imidazol-2-ylmethyl)-N'-methyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
CID 119111479
N-(1H-imidazol-2-ylmethyl)-2-methylsulfanylethanamine
CID 63001194
2-tert-butylsulfanyl-N-(1H-imidazol-2-ylmethyl)ethanamine
CID 115618886
5-(1H-imidazol-2-ylmethylamino)-2,2-dimethylpentan-1-ol
CID 111467371
4-(1H-imidazol-2-ylmethylamino)butan-1-ol
CID 106840602
N-(1H-imidazol-2-ylmethyl)-2-[2-(trifluoromethyl)phenoxy]ethanamine
CID 119126165
1-(1H-imidazol-2-yl)-N-iodomethanamine
CID 139514112
3,3,3-trifluoro-N-(pyrimidin-2-ylmethyl)propan-1-amine
CID 63226377
N-(1H-imidazol-2-ylmethyl)-2-prop-2-ynylsulfanylethanamine
CID 115642921
3-(1H-imidazol-2-ylmethylamino)propane-1-sulfonic acid
CID 82676006
N-(1H-imidazol-2-ylmethyl)-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine
CID 56881227
2,2-diethyl-N-(1H-imidazol-2-ylmethyl)butan-1-amine
CID 115694922

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-(1H-imidazol-2-ylmethyl)propan-1-amine?
The IUPAC name of 3,3,3-trifluoro-N-(1H-imidazol-2-ylmethyl)propan-1-amine (CID 63226322) is 3,3,3-trifluoro-N-(1H-imidazol-2-ylmethyl)propan-1-amine.
What is the SMILES notation for 3,3,3-trifluoro-N-(1H-imidazol-2-ylmethyl)propan-1-amine?
The canonical SMILES for 3,3,3-trifluoro-N-(1H-imidazol-2-ylmethyl)propan-1-amine is FC(F)(F)CCNCc1ncc[nH]1.
What is the InChIKey of 3,3,3-trifluoro-N-(1H-imidazol-2-ylmethyl)propan-1-amine?
The InChIKey is JESJCKXAKQNWTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3N3/c8-7(9,10)1-2-11-5-6-12-3-4-13-6/h3-4,11H,1-2,5H2,(H,12,13).
What are the key properties of 3,3,3-trifluoro-N-(1H-imidazol-2-ylmethyl)propan-1-amine?
3,3,3-trifluoro-N-(1H-imidazol-2-ylmethyl)propan-1-amine has a molecular weight of 193.17 g/mol, XLogP of 1.45, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-(1H-imidazol-2-ylmethyl)propan-1-amine is sourced from PubChem (CID 63226322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).