N-(3-aminopropyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propanamide

C9H17F3N2O2 — CID 43253977

IUPACN-(3-aminopropyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propanamide
SMILESCN(CCCN)C(=O)CCOCC(F)(F)F
InChIInChI=1S/C9H17F3N2O2/c1-14(5-2-4-13)8(15)3-6-16-7-9(10,11)12/h2-7,13H2,1H3
InChIKeyNTZRDYJWGHKJKW-UHFFFAOYSA-N
MW242.24 g/mol
LogP0.76
Rot. Bonds7

About N-(3-aminopropyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propanamide

N-(3-aminopropyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propanamide (PubChem CID 43253977) has the molecular formula C9H17F3N2O2 and a molecular weight of 242.24 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propanamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propanamide
PubChem CID43253977
Molecular FormulaC9H17F3N2O2
Molecular Weight242.24 g/mol
Exact Mass242.12
IUPAC NameN-(3-aminopropyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propanamide
SMILESCN(CCCN)C(=O)CCOCC(F)(F)F
InChIInChI=1S/C9H17F3N2O2/c1-14(5-2-4-13)8(15)3-6-16-7-9(10,11)12/h2-7,13H2,1H3
InChIKeyNTZRDYJWGHKJKW-UHFFFAOYSA-N
XLogP0.76
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.24
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-aminopropyl)-2,2-dimethyl-3-(1,2,2-trifluoroethoxy)propanamide
CID 58502648
N-(3-aminopropyl)-3-(1,2-difluoroethoxy)-2,2-dimethylpropanamide
CID 58792662
N-(3-aminopropyl)-3-(1,2-difluoroethoxy)-2,2-dimethylpropanamide;difluoromethane;fluoromethane;1-fluoropropane;1,1,1,2-tetrafluoroethane
CID 123792062
N-methyl-3-[2-[2-[2-[2-[methyl-(2,2,2-trifluoroacetyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]propanamide
CID 140306783
N-[3-(3-amino-2,2-difluoropropoxy)propyl]propanamide
CID 145401045
3-(3-Propoxypropanoylamino)propanoyl fluoride
CID 154676687
N-(3-aminopropyl)-3-(1,2-difluoroethoxy)-2,2-dimethylpropanamide;difluoromethane;fluoromethane;1-fluoropropane;methane;1,1,1,2-tetrafluoroethane
CID 159958279
N-(3-dimethylaminopropyl)-3-methoxypropionamide
CID 3097421
3-(Dimethylamino)-3-ethoxy-N,N-diethyl-2,2-difluoropropanamide
CID 15651591
N-(3-aminopropyl)-N-methyl-3-(2,2,3,3-tetrafluoropropoxy)propanamide
CID 43254434
N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propanamide
CID 43291080
N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-(2,2,3,3-tetrafluoropropoxy)propanamide
CID 43291424

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propanamide?
The IUPAC name of N-(3-aminopropyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propanamide (CID 43253977) is N-(3-aminopropyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propanamide.
What is the SMILES notation for N-(3-aminopropyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propanamide?
The canonical SMILES for N-(3-aminopropyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propanamide is CN(CCCN)C(=O)CCOCC(F)(F)F.
What is the InChIKey of N-(3-aminopropyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propanamide?
The InChIKey is NTZRDYJWGHKJKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2O2/c1-14(5-2-4-13)8(15)3-6-16-7-9(10,11)12/h2-7,13H2,1H3.
What are the key properties of N-(3-aminopropyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propanamide?
N-(3-aminopropyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propanamide has a molecular weight of 242.24 g/mol, XLogP of 0.76, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propanamide is sourced from PubChem (CID 43253977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).