2-amino-N,N-dibutyl-3,3,3-trifluoro-2-methylpropanamide

C12H23F3N2O — CID 79796610

IUPAC2-amino-N,N-dibutyl-3,3,3-trifluoro-2-methylpropanamide
SMILESCCCCN(CCCC)C(=O)C(C)(N)C(F)(F)F
InChIInChI=1S/C12H23F3N2O/c1-4-6-8-17(9-7-5-2)10(18)11(3,16)12(13,14)15/h4-9,16H2,1-3H3
InChIKeyGGVYEEDDTKAETL-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.69
Rot. Bonds7

About 2-amino-N,N-dibutyl-3,3,3-trifluoro-2-methylpropanamide

2-amino-N,N-dibutyl-3,3,3-trifluoro-2-methylpropanamide (PubChem CID 79796610) has the molecular formula C12H23F3N2O and a molecular weight of 268.32 g/mol. Its IUPAC name is 2-amino-N,N-dibutyl-3,3,3-trifluoro-2-methylpropanamide.

Molecular Properties

Compound Name2-amino-N,N-dibutyl-3,3,3-trifluoro-2-methylpropanamide
PubChem CID79796610
Molecular FormulaC12H23F3N2O
Molecular Weight268.32 g/mol
Exact Mass268.18
IUPAC Name2-amino-N,N-dibutyl-3,3,3-trifluoro-2-methylpropanamide
SMILESCCCCN(CCCC)C(=O)C(C)(N)C(F)(F)F
InChIInChI=1S/C12H23F3N2O/c1-4-6-8-17(9-7-5-2)10(18)11(3,16)12(13,14)15/h4-9,16H2,1-3H3
InChIKeyGGVYEEDDTKAETL-UHFFFAOYSA-N
XLogP2.69
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-3,3,3-trifluoro-2-methyl-N,N-dipropylpropanamide
CID 79791210
2-amino-N-ethyl-3,3,3-trifluoro-2-methyl-N-propylpropanamide
CID 79796969
2-amino-N,N-dihexyl-2-methylpropanamide
CID 61265821
2-amino-3,3,3-trifluoro-N,N-bis(2-methoxyethyl)-2-methylpropanamide
CID 79796803
2,2-dimethyl-N,N-di(nonyl)propanamide
CID 532840
2-amino-1,1,1-trifluoro-2-methylpentadecan-3-one
CID 116593074
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-N,N-dihexylnonanamide
CID 2748490
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-N,N-di(nonyl)nonanamide
CID 3387075
2-(didodecylamino)-1,1-difluoro-2-oxoethanesulfonyl fluoride
CID 164590098
2-amino-N-[2-(dimethylamino)ethyl]-3,3,3-trifluoro-2-methyl-N-(2-methylpropyl)propanamide
CID 79805335
butyl 2-amino-3,3,3-trifluoro-2-methylpropanoate
CID 79798085
3-amino-N-butyl-N-(2-hydroxyethyl)-3-methylbutanamide
CID 64684879

Frequently Asked Questions

What is the IUPAC name of 2-amino-N,N-dibutyl-3,3,3-trifluoro-2-methylpropanamide?
The IUPAC name of 2-amino-N,N-dibutyl-3,3,3-trifluoro-2-methylpropanamide (CID 79796610) is 2-amino-N,N-dibutyl-3,3,3-trifluoro-2-methylpropanamide.
What is the SMILES notation for 2-amino-N,N-dibutyl-3,3,3-trifluoro-2-methylpropanamide?
The canonical SMILES for 2-amino-N,N-dibutyl-3,3,3-trifluoro-2-methylpropanamide is CCCCN(CCCC)C(=O)C(C)(N)C(F)(F)F.
What is the InChIKey of 2-amino-N,N-dibutyl-3,3,3-trifluoro-2-methylpropanamide?
The InChIKey is GGVYEEDDTKAETL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F3N2O/c1-4-6-8-17(9-7-5-2)10(18)11(3,16)12(13,14)15/h4-9,16H2,1-3H3.
What are the key properties of 2-amino-N,N-dibutyl-3,3,3-trifluoro-2-methylpropanamide?
2-amino-N,N-dibutyl-3,3,3-trifluoro-2-methylpropanamide has a molecular weight of 268.32 g/mol, XLogP of 2.69, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N,N-dibutyl-3,3,3-trifluoro-2-methylpropanamide is sourced from PubChem (CID 79796610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).