N-(3-aminopropyl)-N-methyl-3-(4,4,4-trifluorobutoxy)propanamide

C11H21F3N2O2 — CID 82788019

IUPACN-(3-aminopropyl)-N-methyl-3-(4,4,4-trifluorobutoxy)propanamide
SMILESCN(CCCN)C(=O)CCOCCCC(F)(F)F
InChIInChI=1S/C11H21F3N2O2/c1-16(7-3-6-15)10(17)4-9-18-8-2-5-11(12,13)14/h2-9,15H2,1H3
InChIKeyFXUPGJZUENMWHJ-UHFFFAOYSA-N
MW270.29 g/mol
LogP1.54
Rot. Bonds9

About N-(3-aminopropyl)-N-methyl-3-(4,4,4-trifluorobutoxy)propanamide

N-(3-aminopropyl)-N-methyl-3-(4,4,4-trifluorobutoxy)propanamide (PubChem CID 82788019) has the molecular formula C11H21F3N2O2 and a molecular weight of 270.29 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-methyl-3-(4,4,4-trifluorobutoxy)propanamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-methyl-3-(4,4,4-trifluorobutoxy)propanamide
PubChem CID82788019
Molecular FormulaC11H21F3N2O2
Molecular Weight270.29 g/mol
Exact Mass270.16
IUPAC NameN-(3-aminopropyl)-N-methyl-3-(4,4,4-trifluorobutoxy)propanamide
SMILESCN(CCCN)C(=O)CCOCCCC(F)(F)F
InChIInChI=1S/C11H21F3N2O2/c1-16(7-3-6-15)10(17)4-9-18-8-2-5-11(12,13)14/h2-9,15H2,1H3
InChIKeyFXUPGJZUENMWHJ-UHFFFAOYSA-N
XLogP1.54
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 51.54
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-(5-aminopentyl)-4,4,4-trifluoro-N-methylbutanamide
CID 107206525
N-[2-(2-aminoethoxy)ethyl]-N-methyl-3-(2,2,2-trifluoroethoxy)propanamide
CID 114243684
N-(5-aminopentyl)-3-ethoxy-N-methylpropanamide
CID 107206617
N-(3-aminopropyl)-N-methyl-3-(2-propan-2-yloxyethoxy)propanamide
CID 43254229
N-(5-aminopentyl)-3-(2,2-difluoroethoxy)-N-methylpropanamide
CID 107206665
N-(3-aminopropyl)-N-methyl-3-propan-2-yloxypropanamide
CID 43254246
N-(2-chloroethyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propanamide
CID 103212140
N-butyl-3-(3,3-dimethylbutoxy)-N-methylpropanamide;ethane
CID 155713628
N-(3-aminopropyl)-3-[(2-fluorophenyl)methoxy]-N-methylpropanamide
CID 63934653
4-amino-N-(2-ethoxyethyl)-N-methylbutanamide
CID 81058942
N-(3-amino-3-sulfanylidenepropyl)-3-[3-(2-methoxyethoxy)propoxy]-N-methylpropanamide
CID 103402594
N-(3-aminopropyl)-3-(3,5-difluorophenoxy)-N-methylpropanamide
CID 62785960

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-methyl-3-(4,4,4-trifluorobutoxy)propanamide?
The IUPAC name of N-(3-aminopropyl)-N-methyl-3-(4,4,4-trifluorobutoxy)propanamide (CID 82788019) is N-(3-aminopropyl)-N-methyl-3-(4,4,4-trifluorobutoxy)propanamide.
What is the SMILES notation for N-(3-aminopropyl)-N-methyl-3-(4,4,4-trifluorobutoxy)propanamide?
The canonical SMILES for N-(3-aminopropyl)-N-methyl-3-(4,4,4-trifluorobutoxy)propanamide is CN(CCCN)C(=O)CCOCCCC(F)(F)F.
What is the InChIKey of N-(3-aminopropyl)-N-methyl-3-(4,4,4-trifluorobutoxy)propanamide?
The InChIKey is FXUPGJZUENMWHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2O2/c1-16(7-3-6-15)10(17)4-9-18-8-2-5-11(12,13)14/h2-9,15H2,1H3.
What are the key properties of N-(3-aminopropyl)-N-methyl-3-(4,4,4-trifluorobutoxy)propanamide?
N-(3-aminopropyl)-N-methyl-3-(4,4,4-trifluorobutoxy)propanamide has a molecular weight of 270.29 g/mol, XLogP of 1.54, 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-(4,4,4-trifluorobutoxy)propanamide is sourced from PubChem (CID 82788019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).