N-[3-(aminomethyl)pentan-3-yl]-2,2,2-trifluoroacetamide

C8H15F3N2O — CID 63889752

IUPACN-[3-(aminomethyl)pentan-3-yl]-2,2,2-trifluoroacetamide
SMILESCCC(CC)(CN)NC(=O)C(F)(F)F
InChIInChI=1S/C8H15F3N2O/c1-3-7(4-2,5-12)13-6(14)8(9,10)11/h3-5,12H2,1-2H3,(H,13,14)
InChIKeyXFGIPQNHKLGGTF-UHFFFAOYSA-N
MW212.21 g/mol
LogP1.18
Rot. Bonds4

About N-[3-(aminomethyl)pentan-3-yl]-2,2,2-trifluoroacetamide

N-[3-(aminomethyl)pentan-3-yl]-2,2,2-trifluoroacetamide (PubChem CID 63889752) has the molecular formula C8H15F3N2O and a molecular weight of 212.21 g/mol. Its IUPAC name is N-[3-(aminomethyl)pentan-3-yl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)pentan-3-yl]-2,2,2-trifluoroacetamide
PubChem CID63889752
Molecular FormulaC8H15F3N2O
Molecular Weight212.21 g/mol
Exact Mass212.11
IUPAC NameN-[3-(aminomethyl)pentan-3-yl]-2,2,2-trifluoroacetamide
SMILESCCC(CC)(CN)NC(=O)C(F)(F)F
InChIInChI=1S/C8H15F3N2O/c1-3-7(4-2,5-12)13-6(14)8(9,10)11/h3-5,12H2,1-2H3,(H,13,14)
InChIKeyXFGIPQNHKLGGTF-UHFFFAOYSA-N
XLogP1.18
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(aminomethyl)pentan-3-ylurea
CID 63766558
N-(1-amino-2-methylpropan-2-yl)-2,2,2-trifluoroacetamide
CID 63193771
2-(aminomethyl)-2-ethyl-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]butanamide
CID 107865773
N-[3-(aminomethyl)pentan-3-yl]-2-methylprop-2-enamide
CID 87432428
N-[3-(aminomethyl)pentan-3-yl]prop-2-enamide
CID 63887567
N-[3-(aminomethyl)pentan-3-yl]-2-(trifluoromethylsulfanyl)acetamide
CID 119569293
N-[3-(aminomethyl)pentan-3-yl]-3-(2,2,2-trifluoroethoxy)propanamide
CID 103806894
N-[3-(aminomethyl)pentan-3-yl]-2-propylpentanamide
CID 82987241
N-[3-(aminomethyl)pentan-3-yl]-3,4-dimethylpentanamide
CID 119572055
N-[3-(aminomethyl)pentan-3-yl]octanamide
CID 63767635
2-amino-3,3,3-trifluoro-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-methylpropanamide
CID 114010599
N-[3-(aminomethyl)pentan-3-yl]-4-fluorobenzamide;hydrochloride
CID 119570827

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-2,2,2-trifluoroacetamide (CID 63889752) is N-[3-(aminomethyl)pentan-3-yl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[3-(aminomethyl)pentan-3-yl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[3-(aminomethyl)pentan-3-yl]-2,2,2-trifluoroacetamide is CCC(CC)(CN)NC(=O)C(F)(F)F.
What is the InChIKey of N-[3-(aminomethyl)pentan-3-yl]-2,2,2-trifluoroacetamide?
The InChIKey is XFGIPQNHKLGGTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3N2O/c1-3-7(4-2,5-12)13-6(14)8(9,10)11/h3-5,12H2,1-2H3,(H,13,14).
What are the key properties of N-[3-(aminomethyl)pentan-3-yl]-2,2,2-trifluoroacetamide?
N-[3-(aminomethyl)pentan-3-yl]-2,2,2-trifluoroacetamide has a molecular weight of 212.21 g/mol, XLogP of 1.18, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)pentan-3-yl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 63889752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).