4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-amine

C10H19F3N2 — CID 60892926

IUPAC4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-amine
SMILESCN(CC1CCC(N)CC1)CC(F)(F)F
InChIInChI=1S/C10H19F3N2/c1-15(7-10(11,12)13)6-8-2-4-9(14)5-3-8/h8-9H,2-7,14H2,1H3
InChIKeyBRKOKLDNCBEBNA-UHFFFAOYSA-N
MW224.27 g/mol
LogP2.00
Rot. Bonds3

About 4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-amine

4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-amine (PubChem CID 60892926) has the molecular formula C10H19F3N2 and a molecular weight of 224.27 g/mol. Its IUPAC name is 4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-amine
PubChem CID60892926
Molecular FormulaC10H19F3N2
Molecular Weight224.27 g/mol
Exact Mass224.15
IUPAC Name4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-amine
SMILESCN(CC1CCC(N)CC1)CC(F)(F)F
InChIInChI=1S/C10H19F3N2/c1-15(7-10(11,12)13)6-8-2-4-9(14)5-3-8/h8-9H,2-7,14H2,1H3
InChIKeyBRKOKLDNCBEBNA-UHFFFAOYSA-N
XLogP2.00
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.27
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-amine?
The IUPAC name of 4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-amine (CID 60892926) is 4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-amine.
What is the SMILES notation for 4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-amine?
The canonical SMILES for 4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-amine is CN(CC1CCC(N)CC1)CC(F)(F)F.
What is the InChIKey of 4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-amine?
The InChIKey is BRKOKLDNCBEBNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2/c1-15(7-10(11,12)13)6-8-2-4-9(14)5-3-8/h8-9H,2-7,14H2,1H3.
What are the key properties of 4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-amine?
4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-amine has a molecular weight of 224.27 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-amine is sourced from PubChem (CID 60892926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).