2-[(4-amino-1,1,1-trifluorobutan-2-yl)-butylamino]acetamide

C10H20F3N3O — CID 55002752

IUPAC2-[(4-amino-1,1,1-trifluorobutan-2-yl)-butylamino]acetamide
SMILESCCCCN(CC(N)=O)C(CCN)C(F)(F)F
InChIInChI=1S/C10H20F3N3O/c1-2-3-6-16(7-9(15)17)8(4-5-14)10(11,12)13/h8H,2-7,14H2,1H3,(H2,15,17)
InChIKeyOOAKZXFQRBHEBH-UHFFFAOYSA-N
MW255.28 g/mol
LogP0.85
Rot. Bonds8

About 2-[(4-amino-1,1,1-trifluorobutan-2-yl)-butylamino]acetamide

2-[(4-amino-1,1,1-trifluorobutan-2-yl)-butylamino]acetamide (PubChem CID 55002752) has the molecular formula C10H20F3N3O and a molecular weight of 255.28 g/mol. Its IUPAC name is 2-[(4-amino-1,1,1-trifluorobutan-2-yl)-butylamino]acetamide.

Molecular Properties

Compound Name2-[(4-amino-1,1,1-trifluorobutan-2-yl)-butylamino]acetamide
PubChem CID55002752
Molecular FormulaC10H20F3N3O
Molecular Weight255.28 g/mol
Exact Mass255.16
IUPAC Name2-[(4-amino-1,1,1-trifluorobutan-2-yl)-butylamino]acetamide
SMILESCCCCN(CC(N)=O)C(CCN)C(F)(F)F
InChIInChI=1S/C10H20F3N3O/c1-2-3-6-16(7-9(15)17)8(4-5-14)10(11,12)13/h8H,2-7,14H2,1H3,(H2,15,17)
InChIKeyOOAKZXFQRBHEBH-UHFFFAOYSA-N
XLogP0.85
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[(4-amino-1,1,1-trifluorobutan-2-yl)-butylamino]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4,4,4-trifluoro-3-N-pentyl-3-N-propan-2-ylbutane-1,3-diamine
CID 55001955
3-amino-N-(2-amino-2-oxoethyl)-N-butylpropanamide;hydrochloride
CID 119294872
2-[butyl(methyl)amino]acetamide
CID 22371777
(3R)-4,4,4-trifluoro-3-N,3-N-dimethylbutane-1,3-diamine
CID 129365506
2-[2-aminoethyl(propan-2-yl)amino]acetamide
CID 61348378
2,2,2-trifluoroethyl N-(2-amino-2-oxoethyl)-N-butylcarbamate
CID 65173618
2-[butyl-[1-(3,4-difluorophenyl)-1-oxopropan-2-yl]amino]acetamide
CID 62053086
3-[butan-2-yl(butyl)amino]-4,4,4-trifluorobutanoic acid
CID 55146327
3-[butan-2-yl(butyl)amino]propanamide
CID 60648074
(2R)-2-amino-N-(2-amino-2-oxoethyl)-N-butyl-3,3-dimethylbutanamide
CID 103929250
4-amino-2-methyl-N,N-dipentylbutanamide
CID 80542996
1-[2-aminoethyl(butyl)amino]propan-2-one
CID 134504984

Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-1,1,1-trifluorobutan-2-yl)-butylamino]acetamide?
The IUPAC name of 2-[(4-amino-1,1,1-trifluorobutan-2-yl)-butylamino]acetamide (CID 55002752) is 2-[(4-amino-1,1,1-trifluorobutan-2-yl)-butylamino]acetamide.
What is the SMILES notation for 2-[(4-amino-1,1,1-trifluorobutan-2-yl)-butylamino]acetamide?
The canonical SMILES for 2-[(4-amino-1,1,1-trifluorobutan-2-yl)-butylamino]acetamide is CCCCN(CC(N)=O)C(CCN)C(F)(F)F.
What is the InChIKey of 2-[(4-amino-1,1,1-trifluorobutan-2-yl)-butylamino]acetamide?
The InChIKey is OOAKZXFQRBHEBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F3N3O/c1-2-3-6-16(7-9(15)17)8(4-5-14)10(11,12)13/h8H,2-7,14H2,1H3,(H2,15,17).
What are the key properties of 2-[(4-amino-1,1,1-trifluorobutan-2-yl)-butylamino]acetamide?
2-[(4-amino-1,1,1-trifluorobutan-2-yl)-butylamino]acetamide has a molecular weight of 255.28 g/mol, XLogP of 0.85, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-1,1,1-trifluorobutan-2-yl)-butylamino]acetamide is sourced from PubChem (CID 55002752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).