2-methyl-N-[[1-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexyl]methyl]propan-2-amine

C15H29F3N2 — CID 62256165

IUPAC2-methyl-N-[[1-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexyl]methyl]propan-2-amine
SMILESCN(CC(F)(F)F)CC1(CNC(C)(C)C)CCCCC1
InChIInChI=1S/C15H29F3N2/c1-13(2,3)19-10-14(8-6-5-7-9-14)11-20(4)12-15(16,17)18/h19H,5-12H2,1-4H3
InChIKeyQXNUBMQJFYWQLG-UHFFFAOYSA-N
MW294.40 g/mol
LogP3.82
Rot. Bonds5

About 2-methyl-N-[[1-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexyl]methyl]propan-2-amine

2-methyl-N-[[1-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexyl]methyl]propan-2-amine (PubChem CID 62256165) has the molecular formula C15H29F3N2 and a molecular weight of 294.40 g/mol. Its IUPAC name is 2-methyl-N-[[1-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexyl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[1-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexyl]methyl]propan-2-amine
PubChem CID62256165
Molecular FormulaC15H29F3N2
Molecular Weight294.40 g/mol
Exact Mass294.23
IUPAC Name2-methyl-N-[[1-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexyl]methyl]propan-2-amine
SMILESCN(CC(F)(F)F)CC1(CNC(C)(C)C)CCCCC1
InChIInChI=1S/C15H29F3N2/c1-13(2,3)19-10-14(8-6-5-7-9-14)11-20(4)12-15(16,17)18/h19H,5-12H2,1-4H3
InChIKeyQXNUBMQJFYWQLG-UHFFFAOYSA-N
XLogP3.82
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[1-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexyl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[1-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexyl]methyl]propan-2-amine (CID 62256165) is 2-methyl-N-[[1-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexyl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[1-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexyl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[1-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexyl]methyl]propan-2-amine is CN(CC(F)(F)F)CC1(CNC(C)(C)C)CCCCC1.
What is the InChIKey of 2-methyl-N-[[1-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexyl]methyl]propan-2-amine?
The InChIKey is QXNUBMQJFYWQLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29F3N2/c1-13(2,3)19-10-14(8-6-5-7-9-14)11-20(4)12-15(16,17)18/h19H,5-12H2,1-4H3.
What are the key properties of 2-methyl-N-[[1-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexyl]methyl]propan-2-amine?
2-methyl-N-[[1-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexyl]methyl]propan-2-amine has a molecular weight of 294.40 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[1-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexyl]methyl]propan-2-amine is sourced from PubChem (CID 62256165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).