5-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-2,2-dimethylcyclopentan-1-amine

C12H23F3N2 — CID 79865282

IUPAC5-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-2,2-dimethylcyclopentan-1-amine
SMILESCCN(CC1CCC(C)(C)C1N)CC(F)(F)F
InChIInChI=1S/C12H23F3N2/c1-4-17(8-12(13,14)15)7-9-5-6-11(2,3)10(9)16/h9-10H,4-8,16H2,1-3H3
InChIKeyOUKOVLKKLJDYBN-UHFFFAOYSA-N
MW252.32 g/mol
LogP2.63
Rot. Bonds4

About 5-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-2,2-dimethylcyclopentan-1-amine

5-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-2,2-dimethylcyclopentan-1-amine (PubChem CID 79865282) has the molecular formula C12H23F3N2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 5-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-2,2-dimethylcyclopentan-1-amine.

Molecular Properties

Compound Name5-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-2,2-dimethylcyclopentan-1-amine
PubChem CID79865282
Molecular FormulaC12H23F3N2
Molecular Weight252.32 g/mol
Exact Mass252.18
IUPAC Name5-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-2,2-dimethylcyclopentan-1-amine
SMILESCCN(CC1CCC(C)(C)C1N)CC(F)(F)F
InChIInChI=1S/C12H23F3N2/c1-4-17(8-12(13,14)15)7-9-5-6-11(2,3)10(9)16/h9-10H,4-8,16H2,1-3H3
InChIKeyOUKOVLKKLJDYBN-UHFFFAOYSA-N
XLogP2.63
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-2,2-dimethylcyclopentan-1-amine?
The IUPAC name of 5-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-2,2-dimethylcyclopentan-1-amine (CID 79865282) is 5-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-2,2-dimethylcyclopentan-1-amine.
What is the SMILES notation for 5-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-2,2-dimethylcyclopentan-1-amine?
The canonical SMILES for 5-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-2,2-dimethylcyclopentan-1-amine is CCN(CC1CCC(C)(C)C1N)CC(F)(F)F.
What is the InChIKey of 5-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-2,2-dimethylcyclopentan-1-amine?
The InChIKey is OUKOVLKKLJDYBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F3N2/c1-4-17(8-12(13,14)15)7-9-5-6-11(2,3)10(9)16/h9-10H,4-8,16H2,1-3H3.
What are the key properties of 5-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-2,2-dimethylcyclopentan-1-amine?
5-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-2,2-dimethylcyclopentan-1-amine has a molecular weight of 252.32 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-2,2-dimethylcyclopentan-1-amine is sourced from PubChem (CID 79865282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).