N-methyl-3-(oxolan-2-yl)-1-[2-(trifluoromethyl)cyclohexyl]propan-1-amine

C15H26F3NO — CID 105157000

IUPACN-methyl-3-(oxolan-2-yl)-1-[2-(trifluoromethyl)cyclohexyl]propan-1-amine
SMILESCNC(CCC1CCCO1)C1CCCCC1C(F)(F)F
InChIInChI=1S/C15H26F3NO/c1-19-14(9-8-11-5-4-10-20-11)12-6-2-3-7-13(12)15(16,17)18/h11-14,19H,2-10H2,1H3
InChIKeyQBJIGYPUHCLEPP-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.90
Rot. Bonds5

About N-methyl-3-(oxolan-2-yl)-1-[2-(trifluoromethyl)cyclohexyl]propan-1-amine

N-methyl-3-(oxolan-2-yl)-1-[2-(trifluoromethyl)cyclohexyl]propan-1-amine (PubChem CID 105157000) has the molecular formula C15H26F3NO and a molecular weight of 293.37 g/mol. Its IUPAC name is N-methyl-3-(oxolan-2-yl)-1-[2-(trifluoromethyl)cyclohexyl]propan-1-amine.

Molecular Properties

Compound NameN-methyl-3-(oxolan-2-yl)-1-[2-(trifluoromethyl)cyclohexyl]propan-1-amine
PubChem CID105157000
Molecular FormulaC15H26F3NO
Molecular Weight293.37 g/mol
Exact Mass293.20
IUPAC NameN-methyl-3-(oxolan-2-yl)-1-[2-(trifluoromethyl)cyclohexyl]propan-1-amine
SMILESCNC(CCC1CCCO1)C1CCCCC1C(F)(F)F
InChIInChI=1S/C15H26F3NO/c1-19-14(9-8-11-5-4-10-20-11)12-6-2-3-7-13(12)15(16,17)18/h11-14,19H,2-10H2,1H3
InChIKeyQBJIGYPUHCLEPP-UHFFFAOYSA-N
XLogP3.90
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(oxolan-2-yl)-1-[2-(trifluoromethyl)cyclohexyl]propan-1-amine?
The IUPAC name of N-methyl-3-(oxolan-2-yl)-1-[2-(trifluoromethyl)cyclohexyl]propan-1-amine (CID 105157000) is N-methyl-3-(oxolan-2-yl)-1-[2-(trifluoromethyl)cyclohexyl]propan-1-amine.
What is the SMILES notation for N-methyl-3-(oxolan-2-yl)-1-[2-(trifluoromethyl)cyclohexyl]propan-1-amine?
The canonical SMILES for N-methyl-3-(oxolan-2-yl)-1-[2-(trifluoromethyl)cyclohexyl]propan-1-amine is CNC(CCC1CCCO1)C1CCCCC1C(F)(F)F.
What is the InChIKey of N-methyl-3-(oxolan-2-yl)-1-[2-(trifluoromethyl)cyclohexyl]propan-1-amine?
The InChIKey is QBJIGYPUHCLEPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26F3NO/c1-19-14(9-8-11-5-4-10-20-11)12-6-2-3-7-13(12)15(16,17)18/h11-14,19H,2-10H2,1H3.
What are the key properties of N-methyl-3-(oxolan-2-yl)-1-[2-(trifluoromethyl)cyclohexyl]propan-1-amine?
N-methyl-3-(oxolan-2-yl)-1-[2-(trifluoromethyl)cyclohexyl]propan-1-amine has a molecular weight of 293.37 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(oxolan-2-yl)-1-[2-(trifluoromethyl)cyclohexyl]propan-1-amine is sourced from PubChem (CID 105157000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).