N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3-methoxy-2,2-dimethylcyclobutan-1-amine

C12H19F2N3O — CID 103743265

IUPACN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3-methoxy-2,2-dimethylcyclobutan-1-amine
SMILESCOC1CC(NCc2nccn2C(F)F)C1(C)C
InChIInChI=1S/C12H19F2N3O/c1-12(2)8(6-9(12)18-3)16-7-10-15-4-5-17(10)11(13)14/h4-5,8-9,11,16H,6-7H2,1-3H3
InChIKeyZSPHVGONLAEDKC-UHFFFAOYSA-N
MW259.30 g/mol
LogP2.18
Rot. Bonds5

About N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3-methoxy-2,2-dimethylcyclobutan-1-amine

N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3-methoxy-2,2-dimethylcyclobutan-1-amine (PubChem CID 103743265) has the molecular formula C12H19F2N3O and a molecular weight of 259.30 g/mol. Its IUPAC name is N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3-methoxy-2,2-dimethylcyclobutan-1-amine.

Molecular Properties

Compound NameN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3-methoxy-2,2-dimethylcyclobutan-1-amine
PubChem CID103743265
Molecular FormulaC12H19F2N3O
Molecular Weight259.30 g/mol
Exact Mass259.15
IUPAC NameN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3-methoxy-2,2-dimethylcyclobutan-1-amine
SMILESCOC1CC(NCc2nccn2C(F)F)C1(C)C
InChIInChI=1S/C12H19F2N3O/c1-12(2)8(6-9(12)18-3)16-7-10-15-4-5-17(10)11(13)14/h4-5,8-9,11,16H,6-7H2,1-3H3
InChIKeyZSPHVGONLAEDKC-UHFFFAOYSA-N
XLogP2.18
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3-methoxy-2,2-dimethylcyclobutan-1-amine?
The IUPAC name of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3-methoxy-2,2-dimethylcyclobutan-1-amine (CID 103743265) is N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3-methoxy-2,2-dimethylcyclobutan-1-amine.
What is the SMILES notation for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3-methoxy-2,2-dimethylcyclobutan-1-amine?
The canonical SMILES for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3-methoxy-2,2-dimethylcyclobutan-1-amine is COC1CC(NCc2nccn2C(F)F)C1(C)C.
What is the InChIKey of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3-methoxy-2,2-dimethylcyclobutan-1-amine?
The InChIKey is ZSPHVGONLAEDKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F2N3O/c1-12(2)8(6-9(12)18-3)16-7-10-15-4-5-17(10)11(13)14/h4-5,8-9,11,16H,6-7H2,1-3H3.
What are the key properties of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3-methoxy-2,2-dimethylcyclobutan-1-amine?
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3-methoxy-2,2-dimethylcyclobutan-1-amine has a molecular weight of 259.30 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3-methoxy-2,2-dimethylcyclobutan-1-amine is sourced from PubChem (CID 103743265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).