4-(2-aminoethyl)-N-(2,2-difluoro-3-hydroxypropyl)-5,5-dimethylhexanamide

C13H26F2N2O2 — CID 106176997

IUPAC4-(2-aminoethyl)-N-(2,2-difluoro-3-hydroxypropyl)-5,5-dimethylhexanamide
SMILESCC(C)(C)C(CCN)CCC(=O)NCC(F)(F)CO
InChIInChI=1S/C13H26F2N2O2/c1-12(2,3)10(6-7-16)4-5-11(19)17-8-13(14,15)9-18/h10,18H,4-9,16H2,1-3H3,(H,17,19)
InChIKeyBVZQBQOHZUSECI-UHFFFAOYSA-N
MW280.36 g/mol
LogP1.52
Rot. Bonds8

About 4-(2-aminoethyl)-N-(2,2-difluoro-3-hydroxypropyl)-5,5-dimethylhexanamide

4-(2-aminoethyl)-N-(2,2-difluoro-3-hydroxypropyl)-5,5-dimethylhexanamide (PubChem CID 106176997) has the molecular formula C13H26F2N2O2 and a molecular weight of 280.36 g/mol. Its IUPAC name is 4-(2-aminoethyl)-N-(2,2-difluoro-3-hydroxypropyl)-5,5-dimethylhexanamide.

Molecular Properties

Compound Name4-(2-aminoethyl)-N-(2,2-difluoro-3-hydroxypropyl)-5,5-dimethylhexanamide
PubChem CID106176997
Molecular FormulaC13H26F2N2O2
Molecular Weight280.36 g/mol
Exact Mass280.20
IUPAC Name4-(2-aminoethyl)-N-(2,2-difluoro-3-hydroxypropyl)-5,5-dimethylhexanamide
SMILESCC(C)(C)C(CCN)CCC(=O)NCC(F)(F)CO
InChIInChI=1S/C13H26F2N2O2/c1-12(2,3)10(6-7-16)4-5-11(19)17-8-13(14,15)9-18/h10,18H,4-9,16H2,1-3H3,(H,17,19)
InChIKeyBVZQBQOHZUSECI-UHFFFAOYSA-N
XLogP1.52
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.36
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-difluoro-3-hydroxy-4-propan-2-yl-N-propylhexanediamide
CID 88335011
N-(2,2-difluoro-3-hydroxypropyl)cyclohexanecarboxamide
CID 104858285
2,2,2-trifluoro-N-[6-[4-(hydroxymethyl)-4-methylpiperidin-1-yl]-6-oxohexyl]acetamide
CID 134168398
6-amino-4-ethyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)hexanamide
CID 64343468
6-amino-N-(2-hydroxyethyl)-4-methyl-N-(2,2,2-trifluoroethyl)hexanamide
CID 64350135
4-(2-aminoethyl)-5,5-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]hexanamide
CID 64358239
4-(2-aminoethyl)-5,5-dimethyl-N-(2,2,2-trifluoroethyl)hexanamide
CID 64358397
4-(2-aminoethyl)-N-(2-hydroxyethyl)-5-methyl-N-(2,2,2-trifluoroethyl)hexanamide
CID 64359059
4-(2-aminoethyl)-N-(2-hydroxyethyl)-5,5-dimethyl-N-(2,2,2-trifluoroethyl)hexanamide
CID 64359203
4-(2-aminoethyl)-5,5-dimethyl-N-(3,3,3-trifluoropropyl)hexanamide
CID 64360359
6-amino-N-(2-hydroxyethyl)-4,4-dimethyl-N-(2,2,2-trifluoroethyl)hexanamide
CID 65292478
3-(aminomethyl)-N-(2-hydroxyethyl)-5-methyl-N-(2,2,2-trifluoroethyl)hexanamide
CID 65502464

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-N-(2,2-difluoro-3-hydroxypropyl)-5,5-dimethylhexanamide?
The IUPAC name of 4-(2-aminoethyl)-N-(2,2-difluoro-3-hydroxypropyl)-5,5-dimethylhexanamide (CID 106176997) is 4-(2-aminoethyl)-N-(2,2-difluoro-3-hydroxypropyl)-5,5-dimethylhexanamide.
What is the SMILES notation for 4-(2-aminoethyl)-N-(2,2-difluoro-3-hydroxypropyl)-5,5-dimethylhexanamide?
The canonical SMILES for 4-(2-aminoethyl)-N-(2,2-difluoro-3-hydroxypropyl)-5,5-dimethylhexanamide is CC(C)(C)C(CCN)CCC(=O)NCC(F)(F)CO.
What is the InChIKey of 4-(2-aminoethyl)-N-(2,2-difluoro-3-hydroxypropyl)-5,5-dimethylhexanamide?
The InChIKey is BVZQBQOHZUSECI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26F2N2O2/c1-12(2,3)10(6-7-16)4-5-11(19)17-8-13(14,15)9-18/h10,18H,4-9,16H2,1-3H3,(H,17,19).
What are the key properties of 4-(2-aminoethyl)-N-(2,2-difluoro-3-hydroxypropyl)-5,5-dimethylhexanamide?
4-(2-aminoethyl)-N-(2,2-difluoro-3-hydroxypropyl)-5,5-dimethylhexanamide has a molecular weight of 280.36 g/mol, XLogP of 1.52, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-N-(2,2-difluoro-3-hydroxypropyl)-5,5-dimethylhexanamide is sourced from PubChem (CID 106176997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).