N-(3-amino-2,2-difluoropropyl)-3,4,4-trimethylpentanamide

C11H22F2N2O — CID 114383560

IUPACN-(3-amino-2,2-difluoropropyl)-3,4,4-trimethylpentanamide
SMILESCC(CC(=O)NCC(F)(F)CN)C(C)(C)C
InChIInChI=1S/C11H22F2N2O/c1-8(10(2,3)4)5-9(16)15-7-11(12,13)6-14/h8H,5-7,14H2,1-4H3,(H,15,16)
InChIKeyKGBIFJYWFDNQOE-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.77
Rot. Bonds5

About N-(3-amino-2,2-difluoropropyl)-3,4,4-trimethylpentanamide

N-(3-amino-2,2-difluoropropyl)-3,4,4-trimethylpentanamide (PubChem CID 114383560) has the molecular formula C11H22F2N2O and a molecular weight of 236.31 g/mol. Its IUPAC name is N-(3-amino-2,2-difluoropropyl)-3,4,4-trimethylpentanamide.

Molecular Properties

Compound NameN-(3-amino-2,2-difluoropropyl)-3,4,4-trimethylpentanamide
PubChem CID114383560
Molecular FormulaC11H22F2N2O
Molecular Weight236.31 g/mol
Exact Mass236.17
IUPAC NameN-(3-amino-2,2-difluoropropyl)-3,4,4-trimethylpentanamide
SMILESCC(CC(=O)NCC(F)(F)CN)C(C)(C)C
InChIInChI=1S/C11H22F2N2O/c1-8(10(2,3)4)5-9(16)15-7-11(12,13)6-14/h8H,5-7,14H2,1-4H3,(H,15,16)
InChIKeyKGBIFJYWFDNQOE-UHFFFAOYSA-N
XLogP1.77
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-amino-2,2-difluoropropyl)-2,2-dimethylpropanamide
CID 114383402
3-amino-N-(2,2-difluoro-3-hydroxypropyl)-4,4-dimethylpentanamide
CID 106176749
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3,4,4-trimethylpentanamide
CID 113322168
N-(cyanomethyl)-3,4,4-trimethylpentanamide
CID 63820858
N-[(2R)-1-aminopropan-2-yl]-3,4,4-trimethylpentanamide
CID 104873024
(3-amino-2,2-difluoropropyl)carbamic acid
CID 121434560
N-(4-aminobutan-2-yl)-3,4,4-trimethylpentanamide
CID 63832497
N-(4-aminopentyl)-3,4,4-trimethylpentanamide
CID 106122483
N-(3-amino-2,2-difluoropropyl)dodecanamide
CID 114383633
2-hydroxy-3-(3,4,4-trimethylpentanoylamino)propanoic acid
CID 66166062
7-amino-N-(3-amino-2,2-difluoropropyl)heptanamide
CID 122081032
N-[(4-aminocyclohexyl)methyl]-3,4,4-trimethylpentanamide
CID 106124369

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-difluoropropyl)-3,4,4-trimethylpentanamide?
The IUPAC name of N-(3-amino-2,2-difluoropropyl)-3,4,4-trimethylpentanamide (CID 114383560) is N-(3-amino-2,2-difluoropropyl)-3,4,4-trimethylpentanamide.
What is the SMILES notation for N-(3-amino-2,2-difluoropropyl)-3,4,4-trimethylpentanamide?
The canonical SMILES for N-(3-amino-2,2-difluoropropyl)-3,4,4-trimethylpentanamide is CC(CC(=O)NCC(F)(F)CN)C(C)(C)C.
What is the InChIKey of N-(3-amino-2,2-difluoropropyl)-3,4,4-trimethylpentanamide?
The InChIKey is KGBIFJYWFDNQOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F2N2O/c1-8(10(2,3)4)5-9(16)15-7-11(12,13)6-14/h8H,5-7,14H2,1-4H3,(H,15,16).
What are the key properties of N-(3-amino-2,2-difluoropropyl)-3,4,4-trimethylpentanamide?
N-(3-amino-2,2-difluoropropyl)-3,4,4-trimethylpentanamide has a molecular weight of 236.31 g/mol, XLogP of 1.77, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-difluoropropyl)-3,4,4-trimethylpentanamide is sourced from PubChem (CID 114383560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).