acetic acid;(3S)-N-cyclopentyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine

C19H27F3N2O2 — CID 69059262

IUPACacetic acid;(3S)-N-cyclopentyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine
SMILESCC(=O)O.FC(F)(F)c1cccc(CN(C2CCCC2)[C@H]2CCNC2)c1
InChIInChI=1S/C17H23F3N2.C2H4O2/c18-17(19,20)14-5-3-4-13(10-14)12-22(15-6-1-2-7-15)16-8-9-21-11-16;1-2(3)4/h3-5,10,15-16,21H,1-2,6-9,11-12H2;1H3,(H,3,4)/t16-;/m0./s1
InChIKeyDGGRPRNWGGCODR-NTISSMGPSA-N
MW372.43 g/mol
LogP3.90
Rot. Bonds4

About acetic acid;(3S)-N-cyclopentyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine

acetic acid;(3S)-N-cyclopentyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine (PubChem CID 69059262) has the molecular formula C19H27F3N2O2 and a molecular weight of 372.43 g/mol. Its IUPAC name is acetic acid;(3S)-N-cyclopentyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine.

Molecular Properties

Compound Nameacetic acid;(3S)-N-cyclopentyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine
PubChem CID69059262
Molecular FormulaC19H27F3N2O2
Molecular Weight372.43 g/mol
Exact Mass372.20
IUPAC Nameacetic acid;(3S)-N-cyclopentyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine
SMILESCC(=O)O.FC(F)(F)c1cccc(CN(C2CCCC2)[C@H]2CCNC2)c1
InChIInChI=1S/C17H23F3N2.C2H4O2/c18-17(19,20)14-5-3-4-13(10-14)12-22(15-6-1-2-7-15)16-8-9-21-11-16;1-2(3)4/h3-5,10,15-16,21H,1-2,6-9,11-12H2;1H3,(H,3,4)/t16-;/m0./s1
InChIKeyDGGRPRNWGGCODR-NTISSMGPSA-N
XLogP3.90
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-aminopropyl)-N'-[3-(benzylamino)propyl]butane-1,4-diamine;2,2,2-trifluoroacetic acid
CID 44372225
1-(cyclohexylmethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-amine;2,2,2-trifluoroacetic acid
CID 44536486
1-hexyl-N-[(4-methylphenyl)methyl]piperidin-4-amine;2,2,2-trifluoroacetic acid
CID 44536500
1-hexyl-N-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-amine;2,2,2-trifluoroacetic acid
CID 44536502
1-hexyl-N-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-amine;2,2,2-trifluoroacetic acid
CID 44536504
3-[[(1-Hexylpiperidin-4-yl)amino]methyl]benzonitrile;2,2,2-trifluoroacetic acid
CID 44536506
1-[(3R)-3-[[3-(trifluoromethyl)phenyl]methylamino]pyrrolidin-1-yl]prop-2-en-1-one
CID 155344355
1-[(3S)-3-[[3-(trifluoromethyl)phenyl]methylamino]pyrrolidin-1-yl]prop-2-en-1-one
CID 155344386
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-1-hexylpiperidin-4-amine;2,2,2-trifluoroacetic acid
CID 44536490
1-[[3-(1,4,7,10-Tetrazacyclododec-1-ylmethyl)phenyl]methyl]-1,4,7,10-tetrazacyclododecane;2,2,2-trifluoroacetic acid
CID 393774
2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]acetamide
CID 124757995
(2S,3R)-2-benzyl-3-(dimethylamino)-N-propan-2-ylpyrrolidine-1-carboxamide;2,2,2-trifluoroacetic acid
CID 127022036

Frequently Asked Questions

What is the IUPAC name of acetic acid;(3S)-N-cyclopentyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine?
The IUPAC name of acetic acid;(3S)-N-cyclopentyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine (CID 69059262) is acetic acid;(3S)-N-cyclopentyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine.
What is the SMILES notation for acetic acid;(3S)-N-cyclopentyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine?
The canonical SMILES for acetic acid;(3S)-N-cyclopentyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine is CC(=O)O.FC(F)(F)c1cccc(CN(C2CCCC2)[C@H]2CCNC2)c1.
What is the InChIKey of acetic acid;(3S)-N-cyclopentyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine?
The InChIKey is DGGRPRNWGGCODR-NTISSMGPSA-N. The full InChI is InChI=1S/C17H23F3N2.C2H4O2/c18-17(19,20)14-5-3-4-13(10-14)12-22(15-6-1-2-7-15)16-8-9-21-11-16;1-2(3)4/h3-5,10,15-16,21H,1-2,6-9,11-12H2;1H3,(H,3,4)/t16-;/m0./s1.
What are the key properties of acetic acid;(3S)-N-cyclopentyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine?
acetic acid;(3S)-N-cyclopentyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine has a molecular weight of 372.43 g/mol, XLogP of 3.90, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;(3S)-N-cyclopentyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine is sourced from PubChem (CID 69059262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).