2-amino-N,N-dipropylpropanamide;2,2,2-trifluoroacetic acid

C11H21F3N2O3 — CID 19827986

IUPAC2-amino-N,N-dipropylpropanamide;2,2,2-trifluoroacetic acid
SMILESCCCN(CCC)C(=O)C(C)N.O=C(O)C(F)(F)F
InChIInChI=1S/C9H20N2O.C2HF3O2/c1-4-6-11(7-5-2)9(12)8(3)10;3-2(4,5)1(6)7/h8H,4-7,10H2,1-3H3;(H,6,7)
InChIKeyHNZBBTIQXJYOJS-UHFFFAOYSA-N
MW286.29 g/mol
LogP1.62
Rot. Bonds5

About 2-amino-N,N-dipropylpropanamide;2,2,2-trifluoroacetic acid

2-amino-N,N-dipropylpropanamide;2,2,2-trifluoroacetic acid (PubChem CID 19827986) has the molecular formula C11H21F3N2O3 and a molecular weight of 286.29 g/mol. Its IUPAC name is 2-amino-N,N-dipropylpropanamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-amino-N,N-dipropylpropanamide;2,2,2-trifluoroacetic acid
PubChem CID19827986
Molecular FormulaC11H21F3N2O3
Molecular Weight286.29 g/mol
Exact Mass286.15
IUPAC Name2-amino-N,N-dipropylpropanamide;2,2,2-trifluoroacetic acid
SMILESCCCN(CCC)C(=O)C(C)N.O=C(O)C(F)(F)F
InChIInChI=1S/C9H20N2O.C2HF3O2/c1-4-6-11(7-5-2)9(12)8(3)10;3-2(4,5)1(6)7/h8H,4-7,10H2,1-3H3;(H,6,7)
InChIKeyHNZBBTIQXJYOJS-UHFFFAOYSA-N
XLogP1.62
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N,N-dipropylpropanamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-amino-N,N-dipropylpropanamide;2,2,2-trifluoroacetic acid (CID 19827986) is 2-amino-N,N-dipropylpropanamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-amino-N,N-dipropylpropanamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-amino-N,N-dipropylpropanamide;2,2,2-trifluoroacetic acid is CCCN(CCC)C(=O)C(C)N.O=C(O)C(F)(F)F.
What is the InChIKey of 2-amino-N,N-dipropylpropanamide;2,2,2-trifluoroacetic acid?
The InChIKey is HNZBBTIQXJYOJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O.C2HF3O2/c1-4-6-11(7-5-2)9(12)8(3)10;3-2(4,5)1(6)7/h8H,4-7,10H2,1-3H3;(H,6,7).
What are the key properties of 2-amino-N,N-dipropylpropanamide;2,2,2-trifluoroacetic acid?
2-amino-N,N-dipropylpropanamide;2,2,2-trifluoroacetic acid has a molecular weight of 286.29 g/mol, XLogP of 1.62, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N,N-dipropylpropanamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 19827986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).