N-(2-methyl-2-morpholin-4-ylpropyl)-2-(trifluoromethyl)cyclohexan-1-amine

C15H27F3N2O — CID 64758261

IUPACN-(2-methyl-2-morpholin-4-ylpropyl)-2-(trifluoromethyl)cyclohexan-1-amine
SMILESCC(C)(CNC1CCCCC1C(F)(F)F)N1CCOCC1
InChIInChI=1S/C15H27F3N2O/c1-14(2,20-7-9-21-10-8-20)11-19-13-6-4-3-5-12(13)15(16,17)18/h12-13,19H,3-11H2,1-2H3
InChIKeyZCXAQVRCPHFUMF-UHFFFAOYSA-N
MW308.39 g/mol
LogP2.81
Rot. Bonds4

About N-(2-methyl-2-morpholin-4-ylpropyl)-2-(trifluoromethyl)cyclohexan-1-amine

N-(2-methyl-2-morpholin-4-ylpropyl)-2-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 64758261) has the molecular formula C15H27F3N2O and a molecular weight of 308.39 g/mol. Its IUPAC name is N-(2-methyl-2-morpholin-4-ylpropyl)-2-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-(2-methyl-2-morpholin-4-ylpropyl)-2-(trifluoromethyl)cyclohexan-1-amine
PubChem CID64758261
Molecular FormulaC15H27F3N2O
Molecular Weight308.39 g/mol
Exact Mass308.21
IUPAC NameN-(2-methyl-2-morpholin-4-ylpropyl)-2-(trifluoromethyl)cyclohexan-1-amine
SMILESCC(C)(CNC1CCCCC1C(F)(F)F)N1CCOCC1
InChIInChI=1S/C15H27F3N2O/c1-14(2,20-7-9-21-10-8-20)11-19-13-6-4-3-5-12(13)15(16,17)18/h12-13,19H,3-11H2,1-2H3
InChIKeyZCXAQVRCPHFUMF-UHFFFAOYSA-N
XLogP2.81
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-2-morpholin-4-ylpropyl)-2-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of N-(2-methyl-2-morpholin-4-ylpropyl)-2-(trifluoromethyl)cyclohexan-1-amine (CID 64758261) is N-(2-methyl-2-morpholin-4-ylpropyl)-2-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for N-(2-methyl-2-morpholin-4-ylpropyl)-2-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for N-(2-methyl-2-morpholin-4-ylpropyl)-2-(trifluoromethyl)cyclohexan-1-amine is CC(C)(CNC1CCCCC1C(F)(F)F)N1CCOCC1.
What is the InChIKey of N-(2-methyl-2-morpholin-4-ylpropyl)-2-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is ZCXAQVRCPHFUMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27F3N2O/c1-14(2,20-7-9-21-10-8-20)11-19-13-6-4-3-5-12(13)15(16,17)18/h12-13,19H,3-11H2,1-2H3.
What are the key properties of N-(2-methyl-2-morpholin-4-ylpropyl)-2-(trifluoromethyl)cyclohexan-1-amine?
N-(2-methyl-2-morpholin-4-ylpropyl)-2-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 308.39 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-2-morpholin-4-ylpropyl)-2-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 64758261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).