2-cyclobutyl-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]ethanamine

C11H17F2N3 — CID 115690184

IUPAC2-cyclobutyl-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]ethanamine
SMILESFC(F)n1ccnc1CNCCC1CCC1
InChIInChI=1S/C11H17F2N3/c12-11(13)16-7-6-15-10(16)8-14-5-4-9-2-1-3-9/h6-7,9,11,14H,1-5,8H2
InChIKeyWTTPRAWOGIVEOP-UHFFFAOYSA-N
MW229.27 g/mol
LogP2.56
Rot. Bonds6

About 2-cyclobutyl-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]ethanamine

2-cyclobutyl-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]ethanamine (PubChem CID 115690184) has the molecular formula C11H17F2N3 and a molecular weight of 229.27 g/mol. Its IUPAC name is 2-cyclobutyl-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]ethanamine.

Molecular Properties

Compound Name2-cyclobutyl-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]ethanamine
PubChem CID115690184
Molecular FormulaC11H17F2N3
Molecular Weight229.27 g/mol
Exact Mass229.14
IUPAC Name2-cyclobutyl-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]ethanamine
SMILESFC(F)n1ccnc1CNCCC1CCC1
InChIInChI=1S/C11H17F2N3/c12-11(13)16-7-6-15-10(16)8-14-5-4-9-2-1-3-9/h6-7,9,11,14H,1-5,8H2
InChIKeyWTTPRAWOGIVEOP-UHFFFAOYSA-N
XLogP2.56
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.27
LogP ≤ 52.56
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-(difluoromethyl)imidazol-2-yl]methyl]-2-pyrrolidin-1-ylethanamine
CID 60721196
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3,3-dimethylbutan-1-amine
CID 115641541
3-[[[1-(difluoromethyl)imidazol-2-yl]methylamino]methyl]cyclobutan-1-ol
CID 66006553
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-methylsulfinylethanamine
CID 115641707
1-(3-cyclopentylpropyl)-3-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-methylguanidine;hydroiodide
CID 111946466
2-(cyclohexen-1-yl)-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]ethanamine
CID 60718936
3-[[1-(difluoromethyl)imidazol-2-yl]methylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 115577436
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3-methylsulfanylpropan-1-amine
CID 63966469
2-cyclohexyl-N-[(1-ethylimidazol-2-yl)methyl]ethanamine
CID 55064443
1-(4-cyclopentylbutyl)-3-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-methylguanidine;hydroiodide
CID 111608667
4-[[1-(difluoromethyl)imidazol-2-yl]methylamino]butanoic acid
CID 43473335
3-[[1-(difluoromethyl)imidazol-2-yl]methylamino]-N-propan-2-ylpropanamide
CID 115641552

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]ethanamine?
The IUPAC name of 2-cyclobutyl-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]ethanamine (CID 115690184) is 2-cyclobutyl-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]ethanamine.
What is the SMILES notation for 2-cyclobutyl-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]ethanamine?
The canonical SMILES for 2-cyclobutyl-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]ethanamine is FC(F)n1ccnc1CNCCC1CCC1.
What is the InChIKey of 2-cyclobutyl-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]ethanamine?
The InChIKey is WTTPRAWOGIVEOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F2N3/c12-11(13)16-7-6-15-10(16)8-14-5-4-9-2-1-3-9/h6-7,9,11,14H,1-5,8H2.
What are the key properties of 2-cyclobutyl-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]ethanamine?
2-cyclobutyl-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]ethanamine has a molecular weight of 229.27 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]ethanamine is sourced from PubChem (CID 115690184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).