2-[(4,5-dimethylimidazol-1-yl)methyl]-3,3,3-trifluoropropan-1-amine

C9H14F3N3 — CID 103366569

IUPAC2-[(4,5-dimethylimidazol-1-yl)methyl]-3,3,3-trifluoropropan-1-amine
SMILESCc1ncn(CC(CN)C(F)(F)F)c1C
InChIInChI=1S/C9H14F3N3/c1-6-7(2)15(5-14-6)4-8(3-13)9(10,11)12/h5,8H,3-4,13H2,1-2H3
InChIKeyDTEIWVPGFIAHJK-UHFFFAOYSA-N
MW221.23 g/mol
LogP1.64
Rot. Bonds3

About 2-[(4,5-dimethylimidazol-1-yl)methyl]-3,3,3-trifluoropropan-1-amine

2-[(4,5-dimethylimidazol-1-yl)methyl]-3,3,3-trifluoropropan-1-amine (PubChem CID 103366569) has the molecular formula C9H14F3N3 and a molecular weight of 221.23 g/mol. Its IUPAC name is 2-[(4,5-dimethylimidazol-1-yl)methyl]-3,3,3-trifluoropropan-1-amine.

Molecular Properties

Compound Name2-[(4,5-dimethylimidazol-1-yl)methyl]-3,3,3-trifluoropropan-1-amine
PubChem CID103366569
Molecular FormulaC9H14F3N3
Molecular Weight221.23 g/mol
Exact Mass221.11
IUPAC Name2-[(4,5-dimethylimidazol-1-yl)methyl]-3,3,3-trifluoropropan-1-amine
SMILESCc1ncn(CC(CN)C(F)(F)F)c1C
InChIInChI=1S/C9H14F3N3/c1-6-7(2)15(5-14-6)4-8(3-13)9(10,11)12/h5,8H,3-4,13H2,1-2H3
InChIKeyDTEIWVPGFIAHJK-UHFFFAOYSA-N
XLogP1.64
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.23
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4,5-dimethylimidazol-1-yl)methyl]-3,3,3-trifluoropropan-1-amine?
The IUPAC name of 2-[(4,5-dimethylimidazol-1-yl)methyl]-3,3,3-trifluoropropan-1-amine (CID 103366569) is 2-[(4,5-dimethylimidazol-1-yl)methyl]-3,3,3-trifluoropropan-1-amine.
What is the SMILES notation for 2-[(4,5-dimethylimidazol-1-yl)methyl]-3,3,3-trifluoropropan-1-amine?
The canonical SMILES for 2-[(4,5-dimethylimidazol-1-yl)methyl]-3,3,3-trifluoropropan-1-amine is Cc1ncn(CC(CN)C(F)(F)F)c1C.
What is the InChIKey of 2-[(4,5-dimethylimidazol-1-yl)methyl]-3,3,3-trifluoropropan-1-amine?
The InChIKey is DTEIWVPGFIAHJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3N3/c1-6-7(2)15(5-14-6)4-8(3-13)9(10,11)12/h5,8H,3-4,13H2,1-2H3.
What are the key properties of 2-[(4,5-dimethylimidazol-1-yl)methyl]-3,3,3-trifluoropropan-1-amine?
2-[(4,5-dimethylimidazol-1-yl)methyl]-3,3,3-trifluoropropan-1-amine has a molecular weight of 221.23 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,5-dimethylimidazol-1-yl)methyl]-3,3,3-trifluoropropan-1-amine is sourced from PubChem (CID 103366569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).