3-[[2-(dimethylamino)-3-methylimidazol-4-yl]methylamino]-1,1,1-trifluoropropan-2-ol

C10H17F3N4O — CID 114093112

IUPAC3-[[2-(dimethylamino)-3-methylimidazol-4-yl]methylamino]-1,1,1-trifluoropropan-2-ol
SMILESCN(C)c1ncc(CNCC(O)C(F)(F)F)n1C
InChIInChI=1S/C10H17F3N4O/c1-16(2)9-15-5-7(17(9)3)4-14-6-8(18)10(11,12)13/h5,8,14,18H,4,6H2,1-3H3
InChIKeyWGKNVROAUUDONI-UHFFFAOYSA-N
MW266.27 g/mol
LogP0.50
Rot. Bonds5

About 3-[[2-(dimethylamino)-3-methylimidazol-4-yl]methylamino]-1,1,1-trifluoropropan-2-ol

3-[[2-(dimethylamino)-3-methylimidazol-4-yl]methylamino]-1,1,1-trifluoropropan-2-ol (PubChem CID 114093112) has the molecular formula C10H17F3N4O and a molecular weight of 266.27 g/mol. Its IUPAC name is 3-[[2-(dimethylamino)-3-methylimidazol-4-yl]methylamino]-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name3-[[2-(dimethylamino)-3-methylimidazol-4-yl]methylamino]-1,1,1-trifluoropropan-2-ol
PubChem CID114093112
Molecular FormulaC10H17F3N4O
Molecular Weight266.27 g/mol
Exact Mass266.14
IUPAC Name3-[[2-(dimethylamino)-3-methylimidazol-4-yl]methylamino]-1,1,1-trifluoropropan-2-ol
SMILESCN(C)c1ncc(CNCC(O)C(F)(F)F)n1C
InChIInChI=1S/C10H17F3N4O/c1-16(2)9-15-5-7(17(9)3)4-14-6-8(18)10(11,12)13/h5,8,14,18H,4,6H2,1-3H3
InChIKeyWGKNVROAUUDONI-UHFFFAOYSA-N
XLogP0.50
TPSA53.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.27
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-(dimethylamino)-3-methylimidazol-4-yl]methylamino]-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 3-[[2-(dimethylamino)-3-methylimidazol-4-yl]methylamino]-1,1,1-trifluoropropan-2-ol (CID 114093112) is 3-[[2-(dimethylamino)-3-methylimidazol-4-yl]methylamino]-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 3-[[2-(dimethylamino)-3-methylimidazol-4-yl]methylamino]-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 3-[[2-(dimethylamino)-3-methylimidazol-4-yl]methylamino]-1,1,1-trifluoropropan-2-ol is CN(C)c1ncc(CNCC(O)C(F)(F)F)n1C.
What is the InChIKey of 3-[[2-(dimethylamino)-3-methylimidazol-4-yl]methylamino]-1,1,1-trifluoropropan-2-ol?
The InChIKey is WGKNVROAUUDONI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N4O/c1-16(2)9-15-5-7(17(9)3)4-14-6-8(18)10(11,12)13/h5,8,14,18H,4,6H2,1-3H3.
What are the key properties of 3-[[2-(dimethylamino)-3-methylimidazol-4-yl]methylamino]-1,1,1-trifluoropropan-2-ol?
3-[[2-(dimethylamino)-3-methylimidazol-4-yl]methylamino]-1,1,1-trifluoropropan-2-ol has a molecular weight of 266.27 g/mol, XLogP of 0.50, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(dimethylamino)-3-methylimidazol-4-yl]methylamino]-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 114093112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).