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

C10H18F4N2O2 — CID 43254434

IUPACN-(3-aminopropyl)-N-methyl-3-(2,2,3,3-tetrafluoropropoxy)propanamide
SMILESCN(CCCN)C(=O)CCOCC(F)(F)C(F)F
InChIInChI=1S/C10H18F4N2O2/c1-16(5-2-4-15)8(17)3-6-18-7-10(13,14)9(11)12/h9H,2-7,15H2,1H3
InChIKeyLGLXIZHQFUTXSH-UHFFFAOYSA-N
MW274.26 g/mol
LogP1.10
Rot. Bonds9

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

N-(3-aminopropyl)-N-methyl-3-(2,2,3,3-tetrafluoropropoxy)propanamide (PubChem CID 43254434) has the molecular formula C10H18F4N2O2 and a molecular weight of 274.26 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-methyl-3-(2,2,3,3-tetrafluoropropoxy)propanamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-methyl-3-(2,2,3,3-tetrafluoropropoxy)propanamide
PubChem CID43254434
Molecular FormulaC10H18F4N2O2
Molecular Weight274.26 g/mol
Exact Mass274.13
IUPAC NameN-(3-aminopropyl)-N-methyl-3-(2,2,3,3-tetrafluoropropoxy)propanamide
SMILESCN(CCCN)C(=O)CCOCC(F)(F)C(F)F
InChIInChI=1S/C10H18F4N2O2/c1-16(5-2-4-15)8(17)3-6-18-7-10(13,14)9(11)12/h9H,2-7,15H2,1H3
InChIKeyLGLXIZHQFUTXSH-UHFFFAOYSA-N
XLogP1.10
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.26
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_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
3-(acetamidomethoxy)-N-(2,2,3,3,3-pentafluoropropyl)propanamide
CID 132246183
N-[3-(3-amino-2,2-difluoropropoxy)propyl]propanamide
CID 145401045
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-(2,2,2-trifluoroethoxy)propanamide
CID 43253977
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
3-amino-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)propanamide
CID 54871744

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-methyl-3-(2,2,3,3-tetrafluoropropoxy)propanamide?
The IUPAC name of N-(3-aminopropyl)-N-methyl-3-(2,2,3,3-tetrafluoropropoxy)propanamide (CID 43254434) is N-(3-aminopropyl)-N-methyl-3-(2,2,3,3-tetrafluoropropoxy)propanamide.
What is the SMILES notation for N-(3-aminopropyl)-N-methyl-3-(2,2,3,3-tetrafluoropropoxy)propanamide?
The canonical SMILES for N-(3-aminopropyl)-N-methyl-3-(2,2,3,3-tetrafluoropropoxy)propanamide is CN(CCCN)C(=O)CCOCC(F)(F)C(F)F.
What is the InChIKey of N-(3-aminopropyl)-N-methyl-3-(2,2,3,3-tetrafluoropropoxy)propanamide?
The InChIKey is LGLXIZHQFUTXSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F4N2O2/c1-16(5-2-4-15)8(17)3-6-18-7-10(13,14)9(11)12/h9H,2-7,15H2,1H3.
What are the key properties of N-(3-aminopropyl)-N-methyl-3-(2,2,3,3-tetrafluoropropoxy)propanamide?
N-(3-aminopropyl)-N-methyl-3-(2,2,3,3-tetrafluoropropoxy)propanamide has a molecular weight of 274.26 g/mol, XLogP of 1.10, 9 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-(2,2,3,3-tetrafluoropropoxy)propanamide is sourced from PubChem (CID 43254434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).