6-morpholin-4-yl-3-(trifluoromethyl)hexan-1-amine

C11H21F3N2O — CID 82534791

IUPAC6-morpholin-4-yl-3-(trifluoromethyl)hexan-1-amine
SMILESNCCC(CCCN1CCOCC1)C(F)(F)F
InChIInChI=1S/C11H21F3N2O/c12-11(13,14)10(3-4-15)2-1-5-16-6-8-17-9-7-16/h10H,1-9,15H2
InChIKeyGKGPXUXVPCHPNQ-UHFFFAOYSA-N
MW254.30 g/mol
LogP1.63
Rot. Bonds6

About 6-morpholin-4-yl-3-(trifluoromethyl)hexan-1-amine

6-morpholin-4-yl-3-(trifluoromethyl)hexan-1-amine (PubChem CID 82534791) has the molecular formula C11H21F3N2O and a molecular weight of 254.30 g/mol. Its IUPAC name is 6-morpholin-4-yl-3-(trifluoromethyl)hexan-1-amine.

Molecular Properties

Compound Name6-morpholin-4-yl-3-(trifluoromethyl)hexan-1-amine
PubChem CID82534791
Molecular FormulaC11H21F3N2O
Molecular Weight254.30 g/mol
Exact Mass254.16
IUPAC Name6-morpholin-4-yl-3-(trifluoromethyl)hexan-1-amine
SMILESNCCC(CCCN1CCOCC1)C(F)(F)F
InChIInChI=1S/C11H21F3N2O/c12-11(13,14)10(3-4-15)2-1-5-16-6-8-17-9-7-16/h10H,1-9,15H2
InChIKeyGKGPXUXVPCHPNQ-UHFFFAOYSA-N
XLogP1.63
TPSA38.49 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 ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-morpholin-4-yl-3-(trifluoromethyl)hexan-1-amine?
The IUPAC name of 6-morpholin-4-yl-3-(trifluoromethyl)hexan-1-amine (CID 82534791) is 6-morpholin-4-yl-3-(trifluoromethyl)hexan-1-amine.
What is the SMILES notation for 6-morpholin-4-yl-3-(trifluoromethyl)hexan-1-amine?
The canonical SMILES for 6-morpholin-4-yl-3-(trifluoromethyl)hexan-1-amine is NCCC(CCCN1CCOCC1)C(F)(F)F.
What is the InChIKey of 6-morpholin-4-yl-3-(trifluoromethyl)hexan-1-amine?
The InChIKey is GKGPXUXVPCHPNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2O/c12-11(13,14)10(3-4-15)2-1-5-16-6-8-17-9-7-16/h10H,1-9,15H2.
What are the key properties of 6-morpholin-4-yl-3-(trifluoromethyl)hexan-1-amine?
6-morpholin-4-yl-3-(trifluoromethyl)hexan-1-amine has a molecular weight of 254.30 g/mol, XLogP of 1.63, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-morpholin-4-yl-3-(trifluoromethyl)hexan-1-amine is sourced from PubChem (CID 82534791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).