3-ethoxy-2,2-dimethyl-1-[(3,3,3-trifluoropropylamino)methyl]cyclobutan-1-amine

C12H23F3N2O — CID 114830575

IUPAC3-ethoxy-2,2-dimethyl-1-[(3,3,3-trifluoropropylamino)methyl]cyclobutan-1-amine
SMILESCCOC1CC(N)(CNCCC(F)(F)F)C1(C)C
InChIInChI=1S/C12H23F3N2O/c1-4-18-9-7-11(16,10(9,2)3)8-17-6-5-12(13,14)15/h9,17H,4-8,16H2,1-3H3
InChIKeyLMPXHTZYRAKBSZ-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.06
Rot. Bonds6

About 3-ethoxy-2,2-dimethyl-1-[(3,3,3-trifluoropropylamino)methyl]cyclobutan-1-amine

3-ethoxy-2,2-dimethyl-1-[(3,3,3-trifluoropropylamino)methyl]cyclobutan-1-amine (PubChem CID 114830575) has the molecular formula C12H23F3N2O and a molecular weight of 268.32 g/mol. Its IUPAC name is 3-ethoxy-2,2-dimethyl-1-[(3,3,3-trifluoropropylamino)methyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-ethoxy-2,2-dimethyl-1-[(3,3,3-trifluoropropylamino)methyl]cyclobutan-1-amine
PubChem CID114830575
Molecular FormulaC12H23F3N2O
Molecular Weight268.32 g/mol
Exact Mass268.18
IUPAC Name3-ethoxy-2,2-dimethyl-1-[(3,3,3-trifluoropropylamino)methyl]cyclobutan-1-amine
SMILESCCOC1CC(N)(CNCCC(F)(F)F)C1(C)C
InChIInChI=1S/C12H23F3N2O/c1-4-18-9-7-11(16,10(9,2)3)8-17-6-5-12(13,14)15/h9,17H,4-8,16H2,1-3H3
InChIKeyLMPXHTZYRAKBSZ-UHFFFAOYSA-N
XLogP2.06
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-2,2-dimethyl-1-[(3,3,3-trifluoropropylamino)methyl]cyclobutan-1-amine?
The IUPAC name of 3-ethoxy-2,2-dimethyl-1-[(3,3,3-trifluoropropylamino)methyl]cyclobutan-1-amine (CID 114830575) is 3-ethoxy-2,2-dimethyl-1-[(3,3,3-trifluoropropylamino)methyl]cyclobutan-1-amine.
What is the SMILES notation for 3-ethoxy-2,2-dimethyl-1-[(3,3,3-trifluoropropylamino)methyl]cyclobutan-1-amine?
The canonical SMILES for 3-ethoxy-2,2-dimethyl-1-[(3,3,3-trifluoropropylamino)methyl]cyclobutan-1-amine is CCOC1CC(N)(CNCCC(F)(F)F)C1(C)C.
What is the InChIKey of 3-ethoxy-2,2-dimethyl-1-[(3,3,3-trifluoropropylamino)methyl]cyclobutan-1-amine?
The InChIKey is LMPXHTZYRAKBSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F3N2O/c1-4-18-9-7-11(16,10(9,2)3)8-17-6-5-12(13,14)15/h9,17H,4-8,16H2,1-3H3.
What are the key properties of 3-ethoxy-2,2-dimethyl-1-[(3,3,3-trifluoropropylamino)methyl]cyclobutan-1-amine?
3-ethoxy-2,2-dimethyl-1-[(3,3,3-trifluoropropylamino)methyl]cyclobutan-1-amine has a molecular weight of 268.32 g/mol, XLogP of 2.06, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-2,2-dimethyl-1-[(3,3,3-trifluoropropylamino)methyl]cyclobutan-1-amine is sourced from PubChem (CID 114830575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).