6-amino-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]hexanamide

C13H24F3N3O — CID 60856493

IUPAC6-amino-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]hexanamide
SMILESNCCCCCC(=O)NCC1CCN(CC(F)(F)F)C1
InChIInChI=1S/C13H24F3N3O/c14-13(15,16)10-19-7-5-11(9-19)8-18-12(20)4-2-1-3-6-17/h11H,1-10,17H2,(H,18,20)
InChIKeySZANWBLRLXCTMT-UHFFFAOYSA-N
MW295.35 g/mol
LogP1.51
Rot. Bonds8

About 6-amino-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]hexanamide

6-amino-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]hexanamide (PubChem CID 60856493) has the molecular formula C13H24F3N3O and a molecular weight of 295.35 g/mol. Its IUPAC name is 6-amino-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]hexanamide.

Molecular Properties

Compound Name6-amino-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]hexanamide
PubChem CID60856493
Molecular FormulaC13H24F3N3O
Molecular Weight295.35 g/mol
Exact Mass295.19
IUPAC Name6-amino-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]hexanamide
SMILESNCCCCCC(=O)NCC1CCN(CC(F)(F)F)C1
InChIInChI=1S/C13H24F3N3O/c14-13(15,16)10-19-7-5-11(9-19)8-18-12(20)4-2-1-3-6-17/h11H,1-10,17H2,(H,18,20)
InChIKeySZANWBLRLXCTMT-UHFFFAOYSA-N
XLogP1.51
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-[2-oxo-2-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methylamino]ethyl]acetamide
CID 60856801
5-amino-2-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pentanamide
CID 104684171
7-amino-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]heptanamide;dihydrochloride
CID 119885095
2-chloro-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]acetamide
CID 50989385
ethyl 4-oxo-4-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methylamino]butanoate
CID 61244678
2-(prop-2-enylamino)-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]acetamide
CID 79285873
6-amino-N-(cyclopropylmethyl)hexanamide
CID 24707919
7-amino-N-(cyclopropylmethyl)heptanamide
CID 24705524
(2R)-2-amino-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]propanamide;dihydrochloride
CID 119854697
6-amino-N-(cyclohexylmethyl)hexanamide
CID 43371592
1-cyclopropyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]methanamine
CID 60856164
6-amino-N-[(4-hydroxycyclohexyl)methyl]hexanamide
CID 106135658

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]hexanamide?
The IUPAC name of 6-amino-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]hexanamide (CID 60856493) is 6-amino-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]hexanamide.
What is the SMILES notation for 6-amino-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]hexanamide?
The canonical SMILES for 6-amino-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]hexanamide is NCCCCCC(=O)NCC1CCN(CC(F)(F)F)C1.
What is the InChIKey of 6-amino-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]hexanamide?
The InChIKey is SZANWBLRLXCTMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F3N3O/c14-13(15,16)10-19-7-5-11(9-19)8-18-12(20)4-2-1-3-6-17/h11H,1-10,17H2,(H,18,20).
What are the key properties of 6-amino-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]hexanamide?
6-amino-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]hexanamide has a molecular weight of 295.35 g/mol, XLogP of 1.51, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]hexanamide is sourced from PubChem (CID 60856493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).