4,4,4-trifluoro-3-methyl-N-(2-morpholin-4-ylethyl)butan-1-amine

C11H21F3N2O — CID 160816876

IUPAC4,4,4-trifluoro-3-methyl-N-(2-morpholin-4-ylethyl)butan-1-amine
SMILESCC(CCNCCN1CCOCC1)C(F)(F)F
InChIInChI=1S/C11H21F3N2O/c1-10(11(12,13)14)2-3-15-4-5-16-6-8-17-9-7-16/h10,15H,2-9H2,1H3
InChIKeyIHNBWQBCOACOJL-UHFFFAOYSA-N
MW254.30 g/mol
LogP1.50
Rot. Bonds6

About 4,4,4-trifluoro-3-methyl-N-(2-morpholin-4-ylethyl)butan-1-amine

4,4,4-trifluoro-3-methyl-N-(2-morpholin-4-ylethyl)butan-1-amine (PubChem CID 160816876) has the molecular formula C11H21F3N2O and a molecular weight of 254.30 g/mol. Its IUPAC name is 4,4,4-trifluoro-3-methyl-N-(2-morpholin-4-ylethyl)butan-1-amine.

Molecular Properties

Compound Name4,4,4-trifluoro-3-methyl-N-(2-morpholin-4-ylethyl)butan-1-amine
PubChem CID160816876
Molecular FormulaC11H21F3N2O
Molecular Weight254.30 g/mol
Exact Mass254.16
IUPAC Name4,4,4-trifluoro-3-methyl-N-(2-morpholin-4-ylethyl)butan-1-amine
SMILESCC(CCNCCN1CCOCC1)C(F)(F)F
InChIInChI=1S/C11H21F3N2O/c1-10(11(12,13)14)2-3-15-4-5-16-6-8-17-9-7-16/h10,15H,2-9H2,1H3
InChIKeyIHNBWQBCOACOJL-UHFFFAOYSA-N
XLogP1.50
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-3-methyl-N-(2-morpholin-4-ylethyl)butan-1-amine?
The IUPAC name of 4,4,4-trifluoro-3-methyl-N-(2-morpholin-4-ylethyl)butan-1-amine (CID 160816876) is 4,4,4-trifluoro-3-methyl-N-(2-morpholin-4-ylethyl)butan-1-amine.
What is the SMILES notation for 4,4,4-trifluoro-3-methyl-N-(2-morpholin-4-ylethyl)butan-1-amine?
The canonical SMILES for 4,4,4-trifluoro-3-methyl-N-(2-morpholin-4-ylethyl)butan-1-amine is CC(CCNCCN1CCOCC1)C(F)(F)F.
What is the InChIKey of 4,4,4-trifluoro-3-methyl-N-(2-morpholin-4-ylethyl)butan-1-amine?
The InChIKey is IHNBWQBCOACOJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2O/c1-10(11(12,13)14)2-3-15-4-5-16-6-8-17-9-7-16/h10,15H,2-9H2,1H3.
What are the key properties of 4,4,4-trifluoro-3-methyl-N-(2-morpholin-4-ylethyl)butan-1-amine?
4,4,4-trifluoro-3-methyl-N-(2-morpholin-4-ylethyl)butan-1-amine has a molecular weight of 254.30 g/mol, XLogP of 1.50, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-3-methyl-N-(2-morpholin-4-ylethyl)butan-1-amine is sourced from PubChem (CID 160816876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).