5-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-2,2-dimethyl-N-propylcyclopentan-1-amine

C15H29F3N2 — CID 79867191

IUPAC5-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-2,2-dimethyl-N-propylcyclopentan-1-amine
SMILESCCCNC1C(CN(CC)CC(F)(F)F)CCC1(C)C
InChIInChI=1S/C15H29F3N2/c1-5-9-19-13-12(7-8-14(13,3)4)10-20(6-2)11-15(16,17)18/h12-13,19H,5-11H2,1-4H3
InChIKeyHTCAILUMMTXODO-UHFFFAOYSA-N
MW294.40 g/mol
LogP3.67
Rot. Bonds7

About 5-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-2,2-dimethyl-N-propylcyclopentan-1-amine

5-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-2,2-dimethyl-N-propylcyclopentan-1-amine (PubChem CID 79867191) has the molecular formula C15H29F3N2 and a molecular weight of 294.40 g/mol. Its IUPAC name is 5-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-2,2-dimethyl-N-propylcyclopentan-1-amine.

Molecular Properties

Compound Name5-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-2,2-dimethyl-N-propylcyclopentan-1-amine
PubChem CID79867191
Molecular FormulaC15H29F3N2
Molecular Weight294.40 g/mol
Exact Mass294.23
IUPAC Name5-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-2,2-dimethyl-N-propylcyclopentan-1-amine
SMILESCCCNC1C(CN(CC)CC(F)(F)F)CCC1(C)C
InChIInChI=1S/C15H29F3N2/c1-5-9-19-13-12(7-8-14(13,3)4)10-20(6-2)11-15(16,17)18/h12-13,19H,5-11H2,1-4H3
InChIKeyHTCAILUMMTXODO-UHFFFAOYSA-N
XLogP3.67
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-6-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-2,2-dimethylcyclohexan-1-amine
CID 79853442
2,2-dimethyl-6-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-N-propylcyclohexan-1-amine
CID 79853529
5-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-2,2-dimethylcyclopentan-1-ol
CID 79855353
6-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-N,2,2-trimethylcyclohexan-1-amine
CID 79852225
2-[[3,3-dimethyl-2-(propylamino)cyclopentyl]methyl-propylamino]ethanol
CID 79867198
2-[butyl-[[3,3-dimethyl-2-(propylamino)cyclopentyl]methyl]amino]ethanol
CID 79867195
5-[[cyclopentylmethyl(methyl)amino]methyl]-2,2-dimethyl-N-propylcyclopentan-1-amine
CID 79855876
1-[[3,3-dimethyl-2-(methylamino)cyclopentyl]methyl-ethylamino]-2-methylpropan-2-ol
CID 79855042
1-[[3,3-dimethyl-2-(propylamino)cyclopentyl]methyl-methylamino]propan-2-ol
CID 79855488
2-[[3,3-dimethyl-2-(propylamino)cyclopentyl]methyl-methylamino]propan-1-ol
CID 104554576
3,3-dimethyl-1-N-propan-2-yl-2-N-propyl-1-N-(2,2,2-trifluoroethyl)cyclohexane-1,2-diamine
CID 79836033
2,2-dimethyl-N-propyl-5-(2,2,2-trifluoroethoxy)cyclopentan-1-amine
CID 79859877

Frequently Asked Questions

What is the IUPAC name of 5-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-2,2-dimethyl-N-propylcyclopentan-1-amine?
The IUPAC name of 5-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-2,2-dimethyl-N-propylcyclopentan-1-amine (CID 79867191) is 5-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-2,2-dimethyl-N-propylcyclopentan-1-amine.
What is the SMILES notation for 5-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-2,2-dimethyl-N-propylcyclopentan-1-amine?
The canonical SMILES for 5-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-2,2-dimethyl-N-propylcyclopentan-1-amine is CCCNC1C(CN(CC)CC(F)(F)F)CCC1(C)C.
What is the InChIKey of 5-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-2,2-dimethyl-N-propylcyclopentan-1-amine?
The InChIKey is HTCAILUMMTXODO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29F3N2/c1-5-9-19-13-12(7-8-14(13,3)4)10-20(6-2)11-15(16,17)18/h12-13,19H,5-11H2,1-4H3.
What are the key properties of 5-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-2,2-dimethyl-N-propylcyclopentan-1-amine?
5-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-2,2-dimethyl-N-propylcyclopentan-1-amine has a molecular weight of 294.40 g/mol, XLogP of 3.67, 7 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-dimethyl-N-propylcyclopentan-1-amine is sourced from PubChem (CID 79867191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).