2-amino-N-[2-(dimethylamino)ethyl]-3,3,3-trifluoro-2-methyl-N-(2-methylpropyl)propanamide

C12H24F3N3O — CID 79805335

IUPAC2-amino-N-[2-(dimethylamino)ethyl]-3,3,3-trifluoro-2-methyl-N-(2-methylpropyl)propanamide
SMILESCC(C)CN(CCN(C)C)C(=O)C(C)(N)C(F)(F)F
InChIInChI=1S/C12H24F3N3O/c1-9(2)8-18(7-6-17(4)5)10(19)11(3,16)12(13,14)15/h9H,6-8,16H2,1-5H3
InChIKeyKKAWKDBYXYNOIZ-UHFFFAOYSA-N
MW283.34 g/mol
LogP1.31
Rot. Bonds6

About 2-amino-N-[2-(dimethylamino)ethyl]-3,3,3-trifluoro-2-methyl-N-(2-methylpropyl)propanamide

2-amino-N-[2-(dimethylamino)ethyl]-3,3,3-trifluoro-2-methyl-N-(2-methylpropyl)propanamide (PubChem CID 79805335) has the molecular formula C12H24F3N3O and a molecular weight of 283.34 g/mol. Its IUPAC name is 2-amino-N-[2-(dimethylamino)ethyl]-3,3,3-trifluoro-2-methyl-N-(2-methylpropyl)propanamide.

Molecular Properties

Compound Name2-amino-N-[2-(dimethylamino)ethyl]-3,3,3-trifluoro-2-methyl-N-(2-methylpropyl)propanamide
PubChem CID79805335
Molecular FormulaC12H24F3N3O
Molecular Weight283.34 g/mol
Exact Mass283.19
IUPAC Name2-amino-N-[2-(dimethylamino)ethyl]-3,3,3-trifluoro-2-methyl-N-(2-methylpropyl)propanamide
SMILESCC(C)CN(CCN(C)C)C(=O)C(C)(N)C(F)(F)F
InChIInChI=1S/C12H24F3N3O/c1-9(2)8-18(7-6-17(4)5)10(19)11(3,16)12(13,14)15/h9H,6-8,16H2,1-5H3
InChIKeyKKAWKDBYXYNOIZ-UHFFFAOYSA-N
XLogP1.31
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.34
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(2-cyanoethyl)-3,3,3-trifluoro-2-methyl-N-(2-methylpropyl)propanamide
CID 79804815
2-amino-N-ethyl-3,3,3-trifluoro-2-methyl-N-propylpropanamide
CID 79796969
2-amino-3,3,3-trifluoro-2-methyl-N,N-dipropylpropanamide
CID 79791210
tert-butyl N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)carbamate
CID 65142781
2-amino-N,N-dibutyl-3,3,3-trifluoro-2-methylpropanamide
CID 79796610
1-amino-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)cyclopropane-1-carboxamide
CID 65464903
2-(aminomethyl)-N-[2-(dimethylamino)ethyl]-4,4-dimethyl-N-(2-methylpropyl)pentanamide
CID 107471656
2-amino-3,3,3-trifluoro-N,N-bis(2-methoxyethyl)-2-methylpropanamide
CID 79796803
3-amino-2,2,3-trimethyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)butanamide
CID 65269424
2-amino-N-(2-cyanopropyl)-3,3,3-trifluoro-N,2-dimethylpropanamide
CID 79805675
1-(2-aminopropyl)-1-[2-(dimethylamino)ethyl]urea
CID 82404869
3-amino-4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-4-oxobutanoic acid
CID 64896709

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(dimethylamino)ethyl]-3,3,3-trifluoro-2-methyl-N-(2-methylpropyl)propanamide?
The IUPAC name of 2-amino-N-[2-(dimethylamino)ethyl]-3,3,3-trifluoro-2-methyl-N-(2-methylpropyl)propanamide (CID 79805335) is 2-amino-N-[2-(dimethylamino)ethyl]-3,3,3-trifluoro-2-methyl-N-(2-methylpropyl)propanamide.
What is the SMILES notation for 2-amino-N-[2-(dimethylamino)ethyl]-3,3,3-trifluoro-2-methyl-N-(2-methylpropyl)propanamide?
The canonical SMILES for 2-amino-N-[2-(dimethylamino)ethyl]-3,3,3-trifluoro-2-methyl-N-(2-methylpropyl)propanamide is CC(C)CN(CCN(C)C)C(=O)C(C)(N)C(F)(F)F.
What is the InChIKey of 2-amino-N-[2-(dimethylamino)ethyl]-3,3,3-trifluoro-2-methyl-N-(2-methylpropyl)propanamide?
The InChIKey is KKAWKDBYXYNOIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24F3N3O/c1-9(2)8-18(7-6-17(4)5)10(19)11(3,16)12(13,14)15/h9H,6-8,16H2,1-5H3.
What are the key properties of 2-amino-N-[2-(dimethylamino)ethyl]-3,3,3-trifluoro-2-methyl-N-(2-methylpropyl)propanamide?
2-amino-N-[2-(dimethylamino)ethyl]-3,3,3-trifluoro-2-methyl-N-(2-methylpropyl)propanamide has a molecular weight of 283.34 g/mol, XLogP of 1.31, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(dimethylamino)ethyl]-3,3,3-trifluoro-2-methyl-N-(2-methylpropyl)propanamide is sourced from PubChem (CID 79805335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).