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

C13H25F3N2 — CID 55093973

IUPACN-ethyl-2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-amine
SMILESCCNC1CCCCC1CN(CC)CC(F)(F)F
InChIInChI=1S/C13H25F3N2/c1-3-17-12-8-6-5-7-11(12)9-18(4-2)10-13(14,15)16/h11-12,17H,3-10H2,1-2H3
InChIKeyOMIYCUFWFYJUDQ-UHFFFAOYSA-N
MW266.35 g/mol
LogP3.04
Rot. Bonds6

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

N-ethyl-2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-amine (PubChem CID 55093973) has the molecular formula C13H25F3N2 and a molecular weight of 266.35 g/mol. Its IUPAC name is N-ethyl-2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-amine
PubChem CID55093973
Molecular FormulaC13H25F3N2
Molecular Weight266.35 g/mol
Exact Mass266.20
IUPAC NameN-ethyl-2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-amine
SMILESCCNC1CCCCC1CN(CC)CC(F)(F)F
InChIInChI=1S/C13H25F3N2/c1-3-17-12-8-6-5-7-11(12)9-18(4-2)10-13(14,15)16/h11-12,17H,3-10H2,1-2H3
InChIKeyOMIYCUFWFYJUDQ-UHFFFAOYSA-N
XLogP3.04
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-amine?
The IUPAC name of N-ethyl-2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-amine (CID 55093973) is N-ethyl-2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-amine.
What is the SMILES notation for N-ethyl-2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-amine?
The canonical SMILES for N-ethyl-2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-amine is CCNC1CCCCC1CN(CC)CC(F)(F)F.
What is the InChIKey of N-ethyl-2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-amine?
The InChIKey is OMIYCUFWFYJUDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25F3N2/c1-3-17-12-8-6-5-7-11(12)9-18(4-2)10-13(14,15)16/h11-12,17H,3-10H2,1-2H3.
What are the key properties of N-ethyl-2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-amine?
N-ethyl-2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-amine has a molecular weight of 266.35 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-amine is sourced from PubChem (CID 55093973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).