3-ethoxy-2,2-dimethyl-1-[[3-(trifluoromethyl)piperidin-1-yl]methyl]cyclobutan-1-amine

C15H27F3N2O — CID 114830664

IUPAC3-ethoxy-2,2-dimethyl-1-[[3-(trifluoromethyl)piperidin-1-yl]methyl]cyclobutan-1-amine
SMILESCCOC1CC(N)(CN2CCCC(C(F)(F)F)C2)C1(C)C
InChIInChI=1S/C15H27F3N2O/c1-4-21-12-8-14(19,13(12,2)3)10-20-7-5-6-11(9-20)15(16,17)18/h11-12H,4-10,19H2,1-3H3
InChIKeyCBABCINQYGMHNX-UHFFFAOYSA-N
MW308.39 g/mol
LogP2.79
Rot. Bonds4

About 3-ethoxy-2,2-dimethyl-1-[[3-(trifluoromethyl)piperidin-1-yl]methyl]cyclobutan-1-amine

3-ethoxy-2,2-dimethyl-1-[[3-(trifluoromethyl)piperidin-1-yl]methyl]cyclobutan-1-amine (PubChem CID 114830664) has the molecular formula C15H27F3N2O and a molecular weight of 308.39 g/mol. Its IUPAC name is 3-ethoxy-2,2-dimethyl-1-[[3-(trifluoromethyl)piperidin-1-yl]methyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-ethoxy-2,2-dimethyl-1-[[3-(trifluoromethyl)piperidin-1-yl]methyl]cyclobutan-1-amine
PubChem CID114830664
Molecular FormulaC15H27F3N2O
Molecular Weight308.39 g/mol
Exact Mass308.21
IUPAC Name3-ethoxy-2,2-dimethyl-1-[[3-(trifluoromethyl)piperidin-1-yl]methyl]cyclobutan-1-amine
SMILESCCOC1CC(N)(CN2CCCC(C(F)(F)F)C2)C1(C)C
InChIInChI=1S/C15H27F3N2O/c1-4-21-12-8-14(19,13(12,2)3)10-20-7-5-6-11(9-20)15(16,17)18/h11-12H,4-10,19H2,1-3H3
InChIKeyCBABCINQYGMHNX-UHFFFAOYSA-N
XLogP2.79
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-Ethoxy-2,2-dimethyl-1-[(4,4,4-trifluorobutan-2-ylamino)methyl]cyclobutan-1-amine
CID 105946113
3-Ethoxy-2,2-dimethyl-1-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]cyclobutan-1-amine
CID 106219286
3-Ethoxy-2,2-dimethyl-1-[(2,2,3,3-tetrafluoropropylamino)methyl]cyclobutan-1-amine
CID 106293817
3-Ethoxy-2,2-dimethyl-1-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclobutan-1-amine
CID 114830309
3-Ethoxy-2,2-dimethyl-1-[(2,2,2-trifluoroethylamino)methyl]cyclobutan-1-amine
CID 114830332
3-Ethoxy-1-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-2,2-dimethylcyclobutan-1-amine
CID 114830427
1-[[Cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-3-ethoxy-2,2-dimethylcyclobutan-1-amine
CID 114830434
3-Ethoxy-2,2-dimethyl-1-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclobutan-1-amine
CID 114830435
3-Ethoxy-2,2-dimethyl-1-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclobutan-1-amine
CID 114830436
3-Ethoxy-2,2-dimethyl-1-[(3,3,3-trifluoropropylamino)methyl]cyclobutan-1-amine
CID 114830575
3-Ethoxy-2,2-dimethyl-1-[[methyl(3,3,3-trifluoropropyl)amino]methyl]cyclobutan-1-amine
CID 114830662
3-Ethoxy-2,2-dimethyl-1-[[4-(trifluoromethyl)piperidin-1-yl]methyl]cyclobutan-1-amine
CID 114830665

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-2,2-dimethyl-1-[[3-(trifluoromethyl)piperidin-1-yl]methyl]cyclobutan-1-amine?
The IUPAC name of 3-ethoxy-2,2-dimethyl-1-[[3-(trifluoromethyl)piperidin-1-yl]methyl]cyclobutan-1-amine (CID 114830664) is 3-ethoxy-2,2-dimethyl-1-[[3-(trifluoromethyl)piperidin-1-yl]methyl]cyclobutan-1-amine.
What is the SMILES notation for 3-ethoxy-2,2-dimethyl-1-[[3-(trifluoromethyl)piperidin-1-yl]methyl]cyclobutan-1-amine?
The canonical SMILES for 3-ethoxy-2,2-dimethyl-1-[[3-(trifluoromethyl)piperidin-1-yl]methyl]cyclobutan-1-amine is CCOC1CC(N)(CN2CCCC(C(F)(F)F)C2)C1(C)C.
What is the InChIKey of 3-ethoxy-2,2-dimethyl-1-[[3-(trifluoromethyl)piperidin-1-yl]methyl]cyclobutan-1-amine?
The InChIKey is CBABCINQYGMHNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27F3N2O/c1-4-21-12-8-14(19,13(12,2)3)10-20-7-5-6-11(9-20)15(16,17)18/h11-12H,4-10,19H2,1-3H3.
What are the key properties of 3-ethoxy-2,2-dimethyl-1-[[3-(trifluoromethyl)piperidin-1-yl]methyl]cyclobutan-1-amine?
3-ethoxy-2,2-dimethyl-1-[[3-(trifluoromethyl)piperidin-1-yl]methyl]cyclobutan-1-amine has a molecular weight of 308.39 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-2,2-dimethyl-1-[[3-(trifluoromethyl)piperidin-1-yl]methyl]cyclobutan-1-amine is sourced from PubChem (CID 114830664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).