N-(1-aminopentan-2-yl)-3-(2,2,2-trifluoroethoxy)propanamide

C10H19F3N2O2 — CID 103209514

IUPACN-(1-aminopentan-2-yl)-3-(2,2,2-trifluoroethoxy)propanamide
SMILESCCCC(CN)NC(=O)CCOCC(F)(F)F
InChIInChI=1S/C10H19F3N2O2/c1-2-3-8(6-14)15-9(16)4-5-17-7-10(11,12)13/h8H,2-7,14H2,1H3,(H,15,16)
InChIKeySXCFXLOKPNKWMT-UHFFFAOYSA-N
MW256.27 g/mol
LogP1.20
Rot. Bonds8

About N-(1-aminopentan-2-yl)-3-(2,2,2-trifluoroethoxy)propanamide

N-(1-aminopentan-2-yl)-3-(2,2,2-trifluoroethoxy)propanamide (PubChem CID 103209514) has the molecular formula C10H19F3N2O2 and a molecular weight of 256.27 g/mol. Its IUPAC name is N-(1-aminopentan-2-yl)-3-(2,2,2-trifluoroethoxy)propanamide.

Molecular Properties

Compound NameN-(1-aminopentan-2-yl)-3-(2,2,2-trifluoroethoxy)propanamide
PubChem CID103209514
Molecular FormulaC10H19F3N2O2
Molecular Weight256.27 g/mol
Exact Mass256.14
IUPAC NameN-(1-aminopentan-2-yl)-3-(2,2,2-trifluoroethoxy)propanamide
SMILESCCCC(CN)NC(=O)CCOCC(F)(F)F
InChIInChI=1S/C10H19F3N2O2/c1-2-3-8(6-14)15-9(16)4-5-17-7-10(11,12)13/h8H,2-7,14H2,1H3,(H,15,16)
InChIKeySXCFXLOKPNKWMT-UHFFFAOYSA-N
XLogP1.20
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.27
LogP ≤ 51.20
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-(1-aminopentan-2-yl)-3-propoxypropanamide
CID 65191210
N-(4-amino-1-methoxybutan-2-yl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 114150665
N-[(2R)-1-hydroxybutan-2-yl]-3-(2,2,2-trifluoroethoxy)propanamide
CID 103919727
N-(1-aminohexan-2-yl)-3-propoxypropanamide
CID 80697621
N-(1-amino-4-methylpentan-3-yl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 106356889
N-(1-amino-4-methoxybutan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 114212190
N-(1-aminopentan-2-yl)-4-methylpentanamide
CID 65190982
N-(1-aminobutan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 103209512
N-(4-hydroxybutan-2-yl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 81047660
N-(4-chlorobutan-2-yl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 103212622
N-(2-bromopentyl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 103212739
N-[3-(aminomethyl)pentan-3-yl]-3-(2,2,2-trifluoroethoxy)propanamide
CID 103806894

Frequently Asked Questions

What is the IUPAC name of N-(1-aminopentan-2-yl)-3-(2,2,2-trifluoroethoxy)propanamide?
The IUPAC name of N-(1-aminopentan-2-yl)-3-(2,2,2-trifluoroethoxy)propanamide (CID 103209514) is N-(1-aminopentan-2-yl)-3-(2,2,2-trifluoroethoxy)propanamide.
What is the SMILES notation for N-(1-aminopentan-2-yl)-3-(2,2,2-trifluoroethoxy)propanamide?
The canonical SMILES for N-(1-aminopentan-2-yl)-3-(2,2,2-trifluoroethoxy)propanamide is CCCC(CN)NC(=O)CCOCC(F)(F)F.
What is the InChIKey of N-(1-aminopentan-2-yl)-3-(2,2,2-trifluoroethoxy)propanamide?
The InChIKey is SXCFXLOKPNKWMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O2/c1-2-3-8(6-14)15-9(16)4-5-17-7-10(11,12)13/h8H,2-7,14H2,1H3,(H,15,16).
What are the key properties of N-(1-aminopentan-2-yl)-3-(2,2,2-trifluoroethoxy)propanamide?
N-(1-aminopentan-2-yl)-3-(2,2,2-trifluoroethoxy)propanamide has a molecular weight of 256.27 g/mol, XLogP of 1.20, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminopentan-2-yl)-3-(2,2,2-trifluoroethoxy)propanamide is sourced from PubChem (CID 103209514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).