1-(aminomethyl)-3-methoxy-N-(2,2,2-trifluoroethyl)cyclobutan-1-amine

C8H15F3N2O — CID 106822174

IUPAC1-(aminomethyl)-3-methoxy-N-(2,2,2-trifluoroethyl)cyclobutan-1-amine
SMILESCOC1CC(CN)(NCC(F)(F)F)C1
InChIInChI=1S/C8H15F3N2O/c1-14-6-2-7(3-6,4-12)13-5-8(9,10)11/h6,13H,2-5,12H2,1H3
InChIKeyHJKSYYRBGRCKFP-UHFFFAOYSA-N
MW212.21 g/mol
LogP0.64
Rot. Bonds4

About 1-(aminomethyl)-3-methoxy-N-(2,2,2-trifluoroethyl)cyclobutan-1-amine

1-(aminomethyl)-3-methoxy-N-(2,2,2-trifluoroethyl)cyclobutan-1-amine (PubChem CID 106822174) has the molecular formula C8H15F3N2O and a molecular weight of 212.21 g/mol. Its IUPAC name is 1-(aminomethyl)-3-methoxy-N-(2,2,2-trifluoroethyl)cyclobutan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-3-methoxy-N-(2,2,2-trifluoroethyl)cyclobutan-1-amine
PubChem CID106822174
Molecular FormulaC8H15F3N2O
Molecular Weight212.21 g/mol
Exact Mass212.11
IUPAC Name1-(aminomethyl)-3-methoxy-N-(2,2,2-trifluoroethyl)cyclobutan-1-amine
SMILESCOC1CC(CN)(NCC(F)(F)F)C1
InChIInChI=1S/C8H15F3N2O/c1-14-6-2-7(3-6,4-12)13-5-8(9,10)11/h6,13H,2-5,12H2,1H3
InChIKeyHJKSYYRBGRCKFP-UHFFFAOYSA-N
XLogP0.64
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-3-methoxy-N-(2,2,2-trifluoroethyl)cyclobutan-1-amine?
The IUPAC name of 1-(aminomethyl)-3-methoxy-N-(2,2,2-trifluoroethyl)cyclobutan-1-amine (CID 106822174) is 1-(aminomethyl)-3-methoxy-N-(2,2,2-trifluoroethyl)cyclobutan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-3-methoxy-N-(2,2,2-trifluoroethyl)cyclobutan-1-amine?
The canonical SMILES for 1-(aminomethyl)-3-methoxy-N-(2,2,2-trifluoroethyl)cyclobutan-1-amine is COC1CC(CN)(NCC(F)(F)F)C1.
What is the InChIKey of 1-(aminomethyl)-3-methoxy-N-(2,2,2-trifluoroethyl)cyclobutan-1-amine?
The InChIKey is HJKSYYRBGRCKFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3N2O/c1-14-6-2-7(3-6,4-12)13-5-8(9,10)11/h6,13H,2-5,12H2,1H3.
What are the key properties of 1-(aminomethyl)-3-methoxy-N-(2,2,2-trifluoroethyl)cyclobutan-1-amine?
1-(aminomethyl)-3-methoxy-N-(2,2,2-trifluoroethyl)cyclobutan-1-amine has a molecular weight of 212.21 g/mol, XLogP of 0.64, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-3-methoxy-N-(2,2,2-trifluoroethyl)cyclobutan-1-amine is sourced from PubChem (CID 106822174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).