1-(aminomethyl)-N,4-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine

C13H25F3N2O — CID 62006382

IUPAC1-(aminomethyl)-N,4-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine
SMILESCC1CCC(CN)(N(C)CCOCC(F)(F)F)CC1
InChIInChI=1S/C13H25F3N2O/c1-11-3-5-12(9-17,6-4-11)18(2)7-8-19-10-13(14,15)16/h11H,3-10,17H2,1-2H3
InChIKeyCFHRINLYOAEHMM-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.40
Rot. Bonds6

About 1-(aminomethyl)-N,4-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine

1-(aminomethyl)-N,4-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine (PubChem CID 62006382) has the molecular formula C13H25F3N2O and a molecular weight of 282.35 g/mol. Its IUPAC name is 1-(aminomethyl)-N,4-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N,4-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine
PubChem CID62006382
Molecular FormulaC13H25F3N2O
Molecular Weight282.35 g/mol
Exact Mass282.19
IUPAC Name1-(aminomethyl)-N,4-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine
SMILESCC1CCC(CN)(N(C)CCOCC(F)(F)F)CC1
InChIInChI=1S/C13H25F3N2O/c1-11-3-5-12(9-17,6-4-11)18(2)7-8-19-10-13(14,15)16/h11H,3-10,17H2,1-2H3
InChIKeyCFHRINLYOAEHMM-UHFFFAOYSA-N
XLogP2.40
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N,4-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-N,4-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine (CID 62006382) is 1-(aminomethyl)-N,4-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N,4-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N,4-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine is CC1CCC(CN)(N(C)CCOCC(F)(F)F)CC1.
What is the InChIKey of 1-(aminomethyl)-N,4-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine?
The InChIKey is CFHRINLYOAEHMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25F3N2O/c1-11-3-5-12(9-17,6-4-11)18(2)7-8-19-10-13(14,15)16/h11H,3-10,17H2,1-2H3.
What are the key properties of 1-(aminomethyl)-N,4-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine?
1-(aminomethyl)-N,4-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine has a molecular weight of 282.35 g/mol, XLogP of 2.40, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N,4-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine is sourced from PubChem (CID 62006382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).