N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-methyl-3-methylsulfanylpropan-1-amine

C10H17F2N3S — CID 63965610

IUPACN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-methyl-3-methylsulfanylpropan-1-amine
SMILESCSCC(C)CNCc1nccn1C(F)F
InChIInChI=1S/C10H17F2N3S/c1-8(7-16-2)5-13-6-9-14-3-4-15(9)10(11)12/h3-4,8,10,13H,5-7H2,1-2H3
InChIKeyJELZVRBFQZORHF-UHFFFAOYSA-N
MW249.33 g/mol
LogP2.37
Rot. Bonds7

About N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-methyl-3-methylsulfanylpropan-1-amine

N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-methyl-3-methylsulfanylpropan-1-amine (PubChem CID 63965610) has the molecular formula C10H17F2N3S and a molecular weight of 249.33 g/mol. Its IUPAC name is N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-methyl-3-methylsulfanylpropan-1-amine.

Molecular Properties

Compound NameN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-methyl-3-methylsulfanylpropan-1-amine
PubChem CID63965610
Molecular FormulaC10H17F2N3S
Molecular Weight249.33 g/mol
Exact Mass249.11
IUPAC NameN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-methyl-3-methylsulfanylpropan-1-amine
SMILESCSCC(C)CNCc1nccn1C(F)F
InChIInChI=1S/C10H17F2N3S/c1-8(7-16-2)5-13-6-9-14-3-4-15(9)10(11)12/h3-4,8,10,13H,5-7H2,1-2H3
InChIKeyJELZVRBFQZORHF-UHFFFAOYSA-N
XLogP2.37
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 52.37
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]-2-methyl-3-methylsulfanylpropan-1-amine?
The IUPAC name of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-methyl-3-methylsulfanylpropan-1-amine (CID 63965610) is N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-methyl-3-methylsulfanylpropan-1-amine.
What is the SMILES notation for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-methyl-3-methylsulfanylpropan-1-amine?
The canonical SMILES for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-methyl-3-methylsulfanylpropan-1-amine is CSCC(C)CNCc1nccn1C(F)F.
What is the InChIKey of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-methyl-3-methylsulfanylpropan-1-amine?
The InChIKey is JELZVRBFQZORHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2N3S/c1-8(7-16-2)5-13-6-9-14-3-4-15(9)10(11)12/h3-4,8,10,13H,5-7H2,1-2H3.
What are the key properties of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-methyl-3-methylsulfanylpropan-1-amine?
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-methyl-3-methylsulfanylpropan-1-amine has a molecular weight of 249.33 g/mol, XLogP of 2.37, 7 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]-2-methyl-3-methylsulfanylpropan-1-amine is sourced from PubChem (CID 63965610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).