1-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclobutan-1-amine

C10H19F3N2 — CID 81170585

IUPAC1-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclobutan-1-amine
SMILESCCCN(CC(F)(F)F)CC1(N)CCC1
InChIInChI=1S/C10H19F3N2/c1-2-6-15(8-10(11,12)13)7-9(14)4-3-5-9/h2-8,14H2,1H3
InChIKeyXLUHAESNQQTQND-UHFFFAOYSA-N
MW224.27 g/mol
LogP2.14
Rot. Bonds5

About 1-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclobutan-1-amine

1-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclobutan-1-amine (PubChem CID 81170585) has the molecular formula C10H19F3N2 and a molecular weight of 224.27 g/mol. Its IUPAC name is 1-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclobutan-1-amine.

Molecular Properties

Compound Name1-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclobutan-1-amine
PubChem CID81170585
Molecular FormulaC10H19F3N2
Molecular Weight224.27 g/mol
Exact Mass224.15
IUPAC Name1-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclobutan-1-amine
SMILESCCCN(CC(F)(F)F)CC1(N)CCC1
InChIInChI=1S/C10H19F3N2/c1-2-6-15(8-10(11,12)13)7-9(14)4-3-5-9/h2-8,14H2,1H3
InChIKeyXLUHAESNQQTQND-UHFFFAOYSA-N
XLogP2.14
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.27
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclobutan-1-amine?
The IUPAC name of 1-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclobutan-1-amine (CID 81170585) is 1-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclobutan-1-amine.
What is the SMILES notation for 1-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclobutan-1-amine?
The canonical SMILES for 1-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclobutan-1-amine is CCCN(CC(F)(F)F)CC1(N)CCC1.
What is the InChIKey of 1-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclobutan-1-amine?
The InChIKey is XLUHAESNQQTQND-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2/c1-2-6-15(8-10(11,12)13)7-9(14)4-3-5-9/h2-8,14H2,1H3.
What are the key properties of 1-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclobutan-1-amine?
1-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclobutan-1-amine has a molecular weight of 224.27 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclobutan-1-amine is sourced from PubChem (CID 81170585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).