N-(5-amino-4-methylpentyl)-3-(2,2,2-trifluoroethoxy)propanamide

C11H21F3N2O2 — CID 106152917

IUPACN-(5-amino-4-methylpentyl)-3-(2,2,2-trifluoroethoxy)propanamide
SMILESCC(CN)CCCNC(=O)CCOCC(F)(F)F
InChIInChI=1S/C11H21F3N2O2/c1-9(7-15)3-2-5-16-10(17)4-6-18-8-11(12,13)14/h9H,2-8,15H2,1H3,(H,16,17)
InChIKeyTVQXWFKCJQKILN-UHFFFAOYSA-N
MW270.29 g/mol
LogP1.45
Rot. Bonds9

About N-(5-amino-4-methylpentyl)-3-(2,2,2-trifluoroethoxy)propanamide

N-(5-amino-4-methylpentyl)-3-(2,2,2-trifluoroethoxy)propanamide (PubChem CID 106152917) has the molecular formula C11H21F3N2O2 and a molecular weight of 270.29 g/mol. Its IUPAC name is N-(5-amino-4-methylpentyl)-3-(2,2,2-trifluoroethoxy)propanamide.

Molecular Properties

Compound NameN-(5-amino-4-methylpentyl)-3-(2,2,2-trifluoroethoxy)propanamide
PubChem CID106152917
Molecular FormulaC11H21F3N2O2
Molecular Weight270.29 g/mol
Exact Mass270.16
IUPAC NameN-(5-amino-4-methylpentyl)-3-(2,2,2-trifluoroethoxy)propanamide
SMILESCC(CN)CCCNC(=O)CCOCC(F)(F)F
InChIInChI=1S/C11H21F3N2O2/c1-9(7-15)3-2-5-16-10(17)4-6-18-8-11(12,13)14/h9H,2-8,15H2,1H3,(H,16,17)
InChIKeyTVQXWFKCJQKILN-UHFFFAOYSA-N
XLogP1.45
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 51.45
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

N-(5-amino-4-methylpentyl)-3,3,3-trifluoropropanamide
CID 106153392
4-[3-(2,2,2-trifluoroethoxy)propanoylamino]butanoic acid
CID 43354992
N-(3-bromopropyl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 103208692
5-amino-N-[3-(2-hydroxyethoxy)propyl]-4-methylpentanamide
CID 106310722
N-(4-iodobutyl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 106846214
N-(5-amino-4-methylpentyl)hexanamide
CID 57163193
2-hydroxy-4-[3-(2,2,2-trifluoroethoxy)propanoylamino]butanoic acid
CID 107832677
3-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]propanamide
CID 63828602
N-(2-methylpropoxy)-3-(2,2,2-trifluoroethoxy)propanamide
CID 115410172
2-[(5-amino-4-methylpentanoyl)amino]ethyl carbamate
CID 83210908
5-amino-4-methyl-N-(2,2,2-trifluoroethoxy)pentanamide
CID 82722190
N-[2-(methylamino)propyl]-3-(2,2,2-trifluoroethoxy)propanamide
CID 103512606

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-4-methylpentyl)-3-(2,2,2-trifluoroethoxy)propanamide?
The IUPAC name of N-(5-amino-4-methylpentyl)-3-(2,2,2-trifluoroethoxy)propanamide (CID 106152917) is N-(5-amino-4-methylpentyl)-3-(2,2,2-trifluoroethoxy)propanamide.
What is the SMILES notation for N-(5-amino-4-methylpentyl)-3-(2,2,2-trifluoroethoxy)propanamide?
The canonical SMILES for N-(5-amino-4-methylpentyl)-3-(2,2,2-trifluoroethoxy)propanamide is CC(CN)CCCNC(=O)CCOCC(F)(F)F.
What is the InChIKey of N-(5-amino-4-methylpentyl)-3-(2,2,2-trifluoroethoxy)propanamide?
The InChIKey is TVQXWFKCJQKILN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2O2/c1-9(7-15)3-2-5-16-10(17)4-6-18-8-11(12,13)14/h9H,2-8,15H2,1H3,(H,16,17).
What are the key properties of N-(5-amino-4-methylpentyl)-3-(2,2,2-trifluoroethoxy)propanamide?
N-(5-amino-4-methylpentyl)-3-(2,2,2-trifluoroethoxy)propanamide has a molecular weight of 270.29 g/mol, XLogP of 1.45, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-4-methylpentyl)-3-(2,2,2-trifluoroethoxy)propanamide is sourced from PubChem (CID 106152917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).