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

C12H23F3N2O3 — CID 18649578

IUPAC(2S)-4-methyl-1-morpholin-4-ylpentan-2-amine;2,2,2-trifluoroacetic acid
SMILESCC(C)C[C@H](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)/t10-;/m0./s1
InChIKeyQMURTQBIXJZIEW-PPHPATTJSA-N
MW300.32 g/mol
LogP1.33
Rot. Bonds4

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

(2S)-4-methyl-1-morpholin-4-ylpentan-2-amine;2,2,2-trifluoroacetic acid (PubChem CID 18649578) has the molecular formula C12H23F3N2O3 and a molecular weight of 300.32 g/mol. Its IUPAC name is (2S)-4-methyl-1-morpholin-4-ylpentan-2-amine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name(2S)-4-methyl-1-morpholin-4-ylpentan-2-amine;2,2,2-trifluoroacetic acid
PubChem CID18649578
Molecular FormulaC12H23F3N2O3
Molecular Weight300.32 g/mol
Exact Mass300.17
IUPAC Name(2S)-4-methyl-1-morpholin-4-ylpentan-2-amine;2,2,2-trifluoroacetic acid
SMILESCC(C)C[C@H](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)/t10-;/m0./s1
InChIKeyQMURTQBIXJZIEW-PPHPATTJSA-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

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Frequently Asked Questions

What is the IUPAC name of (2S)-4-methyl-1-morpholin-4-ylpentan-2-amine;2,2,2-trifluoroacetic acid?
The IUPAC name of (2S)-4-methyl-1-morpholin-4-ylpentan-2-amine;2,2,2-trifluoroacetic acid (CID 18649578) is (2S)-4-methyl-1-morpholin-4-ylpentan-2-amine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for (2S)-4-methyl-1-morpholin-4-ylpentan-2-amine;2,2,2-trifluoroacetic acid?
The canonical SMILES for (2S)-4-methyl-1-morpholin-4-ylpentan-2-amine;2,2,2-trifluoroacetic acid is CC(C)C[C@H](N)CN1CCOCC1.O=C(O)C(F)(F)F.
What is the InChIKey of (2S)-4-methyl-1-morpholin-4-ylpentan-2-amine;2,2,2-trifluoroacetic acid?
The InChIKey is QMURTQBIXJZIEW-PPHPATTJSA-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)/t10-;/m0./s1.
What are the key properties of (2S)-4-methyl-1-morpholin-4-ylpentan-2-amine;2,2,2-trifluoroacetic acid?
(2S)-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 (2S)-4-methyl-1-morpholin-4-ylpentan-2-amine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 18649578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).