5,5-dimethyl-4-[3-(trifluoromethyl)pyrrolidin-1-yl]hexan-3-amine

C13H25F3N2 — CID 114271767

IUPAC5,5-dimethyl-4-[3-(trifluoromethyl)pyrrolidin-1-yl]hexan-3-amine
SMILESCCC(N)C(N1CCC(C(F)(F)F)C1)C(C)(C)C
InChIInChI=1S/C13H25F3N2/c1-5-10(17)11(12(2,3)4)18-7-6-9(8-18)13(14,15)16/h9-11H,5-8,17H2,1-4H3
InChIKeyWBPJGLWEABEGBO-UHFFFAOYSA-N
MW266.35 g/mol
LogP3.02
Rot. Bonds3

About 5,5-dimethyl-4-[3-(trifluoromethyl)pyrrolidin-1-yl]hexan-3-amine

5,5-dimethyl-4-[3-(trifluoromethyl)pyrrolidin-1-yl]hexan-3-amine (PubChem CID 114271767) has the molecular formula C13H25F3N2 and a molecular weight of 266.35 g/mol. Its IUPAC name is 5,5-dimethyl-4-[3-(trifluoromethyl)pyrrolidin-1-yl]hexan-3-amine.

Molecular Properties

Compound Name5,5-dimethyl-4-[3-(trifluoromethyl)pyrrolidin-1-yl]hexan-3-amine
PubChem CID114271767
Molecular FormulaC13H25F3N2
Molecular Weight266.35 g/mol
Exact Mass266.20
IUPAC Name5,5-dimethyl-4-[3-(trifluoromethyl)pyrrolidin-1-yl]hexan-3-amine
SMILESCCC(N)C(N1CCC(C(F)(F)F)C1)C(C)(C)C
InChIInChI=1S/C13H25F3N2/c1-5-10(17)11(12(2,3)4)18-7-6-9(8-18)13(14,15)16/h9-11H,5-8,17H2,1-4H3
InChIKeyWBPJGLWEABEGBO-UHFFFAOYSA-N
XLogP3.02
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(4-amino-2,2-dimethylhexan-3-yl)pyrrolidin-3-yl]ethanol
CID 112624601
3-amino-2-[3-(trifluoromethyl)pyrrolidin-1-yl]hexan-1-ol
CID 114271794
[1-(3-amino-1,1,1-trifluoropentan-2-yl)pyrrolidin-3-yl]methanol
CID 112624471
1,1,1-trifluoro-2-(4-propan-2-ylpiperidin-1-yl)pentan-3-amine
CID 103505235
3-amino-2-(4-tert-butylpiperidin-1-yl)pentan-1-ol
CID 104840411
1-(3-amino-1,1,1-trifluoropentan-2-yl)pyrrolidine-3-carboxamide
CID 114081754
methyl 2-[3-(trifluoromethyl)pyrrolidin-1-yl]hexanoate
CID 113341341
1-(furan-2-yl)-1-[3-(trifluoromethyl)pyrrolidin-1-yl]propan-2-amine
CID 114271770
3-(4-tert-butylpiperidin-1-yl)-4,4-dimethylpentan-2-amine
CID 62089682
1-thiophen-3-yl-1-[3-(trifluoromethyl)pyrrolidin-1-yl]propan-2-amine
CID 114271769
N'-hydroxy-3-[4-(trifluoromethyl)piperidin-1-yl]pentanimidamide
CID 77073341
2-(4,4-dimethylpiperidin-1-yl)-1,1,1-trifluoropentan-3-amine
CID 62935989

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-4-[3-(trifluoromethyl)pyrrolidin-1-yl]hexan-3-amine?
The IUPAC name of 5,5-dimethyl-4-[3-(trifluoromethyl)pyrrolidin-1-yl]hexan-3-amine (CID 114271767) is 5,5-dimethyl-4-[3-(trifluoromethyl)pyrrolidin-1-yl]hexan-3-amine.
What is the SMILES notation for 5,5-dimethyl-4-[3-(trifluoromethyl)pyrrolidin-1-yl]hexan-3-amine?
The canonical SMILES for 5,5-dimethyl-4-[3-(trifluoromethyl)pyrrolidin-1-yl]hexan-3-amine is CCC(N)C(N1CCC(C(F)(F)F)C1)C(C)(C)C.
What is the InChIKey of 5,5-dimethyl-4-[3-(trifluoromethyl)pyrrolidin-1-yl]hexan-3-amine?
The InChIKey is WBPJGLWEABEGBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25F3N2/c1-5-10(17)11(12(2,3)4)18-7-6-9(8-18)13(14,15)16/h9-11H,5-8,17H2,1-4H3.
What are the key properties of 5,5-dimethyl-4-[3-(trifluoromethyl)pyrrolidin-1-yl]hexan-3-amine?
5,5-dimethyl-4-[3-(trifluoromethyl)pyrrolidin-1-yl]hexan-3-amine has a molecular weight of 266.35 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-4-[3-(trifluoromethyl)pyrrolidin-1-yl]hexan-3-amine is sourced from PubChem (CID 114271767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).