1-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-3-ethoxy-2,2-dimethylcyclobutan-1-amine

C14H25F3N2O — CID 114830434

IUPAC1-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-3-ethoxy-2,2-dimethylcyclobutan-1-amine
SMILESCCOC1CC(N)(CN(CC(F)(F)F)C2CC2)C1(C)C
InChIInChI=1S/C14H25F3N2O/c1-4-20-11-7-13(18,12(11,2)3)8-19(10-5-6-10)9-14(15,16)17/h10-11H,4-9,18H2,1-3H3
InChIKeyCJVPCLXWJVTVRR-UHFFFAOYSA-N
MW294.36 g/mol
LogP2.55
Rot. Bonds6

About 1-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-3-ethoxy-2,2-dimethylcyclobutan-1-amine

1-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-3-ethoxy-2,2-dimethylcyclobutan-1-amine (PubChem CID 114830434) has the molecular formula C14H25F3N2O and a molecular weight of 294.36 g/mol. Its IUPAC name is 1-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-3-ethoxy-2,2-dimethylcyclobutan-1-amine.

Molecular Properties

Compound Name1-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-3-ethoxy-2,2-dimethylcyclobutan-1-amine
PubChem CID114830434
Molecular FormulaC14H25F3N2O
Molecular Weight294.36 g/mol
Exact Mass294.19
IUPAC Name1-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-3-ethoxy-2,2-dimethylcyclobutan-1-amine
SMILESCCOC1CC(N)(CN(CC(F)(F)F)C2CC2)C1(C)C
InChIInChI=1S/C14H25F3N2O/c1-4-20-11-7-13(18,12(11,2)3)8-19(10-5-6-10)9-14(15,16)17/h10-11H,4-9,18H2,1-3H3
InChIKeyCJVPCLXWJVTVRR-UHFFFAOYSA-N
XLogP2.55
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-3-ethoxy-2,2-dimethylcyclobutan-1-amine?
The IUPAC name of 1-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-3-ethoxy-2,2-dimethylcyclobutan-1-amine (CID 114830434) is 1-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-3-ethoxy-2,2-dimethylcyclobutan-1-amine.
What is the SMILES notation for 1-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-3-ethoxy-2,2-dimethylcyclobutan-1-amine?
The canonical SMILES for 1-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-3-ethoxy-2,2-dimethylcyclobutan-1-amine is CCOC1CC(N)(CN(CC(F)(F)F)C2CC2)C1(C)C.
What is the InChIKey of 1-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-3-ethoxy-2,2-dimethylcyclobutan-1-amine?
The InChIKey is CJVPCLXWJVTVRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F3N2O/c1-4-20-11-7-13(18,12(11,2)3)8-19(10-5-6-10)9-14(15,16)17/h10-11H,4-9,18H2,1-3H3.
What are the key properties of 1-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-3-ethoxy-2,2-dimethylcyclobutan-1-amine?
1-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-3-ethoxy-2,2-dimethylcyclobutan-1-amine has a molecular weight of 294.36 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-3-ethoxy-2,2-dimethylcyclobutan-1-amine is sourced from PubChem (CID 114830434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).