4-methyl-1-morpholin-4-ylpentan-2-amine;2,2,2-trifluoroacetic acid

C12H23F3N2O3 — CID 19107608

IUPAC4-methyl-1-morpholin-4-ylpentan-2-amine;2,2,2-trifluoroacetic acid
SMILESCC(C)CC(N)CN1CCOCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C10H22N2O.C2HF3O2/c1-9(2)7-10(11)8-12-3-5-13-6-4-12;3-2(4,5)1(6)7/h9-10H,3-8,11H2,1-2H3;(H,6,7)
InChIKeyQMURTQBIXJZIEW-UHFFFAOYSA-N
MW300.32 g/mol
LogP1.33
Rot. Bonds4

About 4-methyl-1-morpholin-4-ylpentan-2-amine;2,2,2-trifluoroacetic acid

4-methyl-1-morpholin-4-ylpentan-2-amine;2,2,2-trifluoroacetic acid (PubChem CID 19107608) has the molecular formula C12H23F3N2O3 and a molecular weight of 300.32 g/mol. Its IUPAC name is 4-methyl-1-morpholin-4-ylpentan-2-amine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name4-methyl-1-morpholin-4-ylpentan-2-amine;2,2,2-trifluoroacetic acid
PubChem CID19107608
Molecular FormulaC12H23F3N2O3
Molecular Weight300.32 g/mol
Exact Mass300.17
IUPAC Name4-methyl-1-morpholin-4-ylpentan-2-amine;2,2,2-trifluoroacetic acid
SMILESCC(C)CC(N)CN1CCOCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C10H22N2O.C2HF3O2/c1-9(2)7-10(11)8-12-3-5-13-6-4-12;3-2(4,5)1(6)7/h9-10H,3-8,11H2,1-2H3;(H,6,7)
InChIKeyQMURTQBIXJZIEW-UHFFFAOYSA-N
XLogP1.33
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-methyl-1-morpholin-4-ylpentan-2-amine;2,2,2-trifluoroacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-morpholin-4-ylpentan-2-amine;2,2,2-trifluoroacetic acid?
The IUPAC name of 4-methyl-1-morpholin-4-ylpentan-2-amine;2,2,2-trifluoroacetic acid (CID 19107608) is 4-methyl-1-morpholin-4-ylpentan-2-amine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 4-methyl-1-morpholin-4-ylpentan-2-amine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 4-methyl-1-morpholin-4-ylpentan-2-amine;2,2,2-trifluoroacetic acid is CC(C)CC(N)CN1CCOCC1.O=C(O)C(F)(F)F.
What is the InChIKey of 4-methyl-1-morpholin-4-ylpentan-2-amine;2,2,2-trifluoroacetic acid?
The InChIKey is QMURTQBIXJZIEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O.C2HF3O2/c1-9(2)7-10(11)8-12-3-5-13-6-4-12;3-2(4,5)1(6)7/h9-10H,3-8,11H2,1-2H3;(H,6,7).
What are the key properties of 4-methyl-1-morpholin-4-ylpentan-2-amine;2,2,2-trifluoroacetic acid?
4-methyl-1-morpholin-4-ylpentan-2-amine;2,2,2-trifluoroacetic acid has a molecular weight of 300.32 g/mol, XLogP of 1.33, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-morpholin-4-ylpentan-2-amine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 19107608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).