2-amino-3,3-dimethyl-N-(3,3,3-trifluoropropyl)butanamide

C9H17F3N2O — CID 76988357

IUPAC2-amino-3,3-dimethyl-N-(3,3,3-trifluoropropyl)butanamide
SMILESCC(C)(C)C(N)C(=O)NCCC(F)(F)F
InChIInChI=1S/C9H17F3N2O/c1-8(2,3)6(13)7(15)14-5-4-9(10,11)12/h6H,4-5,13H2,1-3H3,(H,14,15)
InChIKeyRTYIGSKVHQKOSM-UHFFFAOYSA-N
MW226.24 g/mol
LogP1.43
Rot. Bonds3

About 2-amino-3,3-dimethyl-N-(3,3,3-trifluoropropyl)butanamide

2-amino-3,3-dimethyl-N-(3,3,3-trifluoropropyl)butanamide (PubChem CID 76988357) has the molecular formula C9H17F3N2O and a molecular weight of 226.24 g/mol. Its IUPAC name is 2-amino-3,3-dimethyl-N-(3,3,3-trifluoropropyl)butanamide.

Molecular Properties

Compound Name2-amino-3,3-dimethyl-N-(3,3,3-trifluoropropyl)butanamide
PubChem CID76988357
Molecular FormulaC9H17F3N2O
Molecular Weight226.24 g/mol
Exact Mass226.13
IUPAC Name2-amino-3,3-dimethyl-N-(3,3,3-trifluoropropyl)butanamide
SMILESCC(C)(C)C(N)C(=O)NCCC(F)(F)F
InChIInChI=1S/C9H17F3N2O/c1-8(2,3)6(13)7(15)14-5-4-9(10,11)12/h6H,4-5,13H2,1-3H3,(H,14,15)
InChIKeyRTYIGSKVHQKOSM-UHFFFAOYSA-N
XLogP1.43
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-N-(3,3-dimethylbutyl)-3,3-dimethylbutanamide
CID 103808439
N-(2-acetamidoethyl)-2-amino-3,3-dimethylbutanamide
CID 76893602
(2R)-2-amino-4-methyl-N-(3,3,3-trifluoropropyl)pentanamide
CID 104903471
2-amino-N-(3-hydroxypentyl)-3,3-dimethylbutanamide
CID 115751041
(2R)-2-amino-N-(4-aminobutyl)-3,3-dimethylbutanamide
CID 103929631
2-amino-N-(4-aminobutyl)-3,3-dimethylbutanamide
CID 76897344
(2S)-2-amino-N-(3-hydroxy-2,2-dimethylpropyl)-3,3-dimethylbutanamide
CID 115360318
2-amino-3,3-dimethyl-N-(2-methylpropyl)butanamide
CID 76892696
2-bromo-N-(3,3,3-trifluoropropyl)propanamide
CID 107905222
2-amino-2-methyl-N-(3,3,3-trifluoropropyl)propanamide
CID 63226651
(2R)-2-amino-3,3-dimethyl-N-(4-methylpentyl)butanamide
CID 103929431
2-amino-N-[2-(dimethylcarbamoylamino)ethyl]-3,3-dimethylbutanamide
CID 112555904

Frequently Asked Questions

What is the IUPAC name of 2-amino-3,3-dimethyl-N-(3,3,3-trifluoropropyl)butanamide?
The IUPAC name of 2-amino-3,3-dimethyl-N-(3,3,3-trifluoropropyl)butanamide (CID 76988357) is 2-amino-3,3-dimethyl-N-(3,3,3-trifluoropropyl)butanamide.
What is the SMILES notation for 2-amino-3,3-dimethyl-N-(3,3,3-trifluoropropyl)butanamide?
The canonical SMILES for 2-amino-3,3-dimethyl-N-(3,3,3-trifluoropropyl)butanamide is CC(C)(C)C(N)C(=O)NCCC(F)(F)F.
What is the InChIKey of 2-amino-3,3-dimethyl-N-(3,3,3-trifluoropropyl)butanamide?
The InChIKey is RTYIGSKVHQKOSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2O/c1-8(2,3)6(13)7(15)14-5-4-9(10,11)12/h6H,4-5,13H2,1-3H3,(H,14,15).
What are the key properties of 2-amino-3,3-dimethyl-N-(3,3,3-trifluoropropyl)butanamide?
2-amino-3,3-dimethyl-N-(3,3,3-trifluoropropyl)butanamide has a molecular weight of 226.24 g/mol, XLogP of 1.43, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3,3-dimethyl-N-(3,3,3-trifluoropropyl)butanamide is sourced from PubChem (CID 76988357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).