1-(aminomethyl)-N-ethyl-3-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine

C14H27F3N2O — CID 62004899

IUPAC1-(aminomethyl)-N-ethyl-3-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine
SMILESCCN(CCOCC(F)(F)F)C1(CN)CCCC(C)C1
InChIInChI=1S/C14H27F3N2O/c1-3-19(7-8-20-11-14(15,16)17)13(10-18)6-4-5-12(2)9-13/h12H,3-11,18H2,1-2H3
InChIKeyTVTZZTLUYCEXSA-UHFFFAOYSA-N
MW296.38 g/mol
LogP2.79
Rot. Bonds7

About 1-(aminomethyl)-N-ethyl-3-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine

1-(aminomethyl)-N-ethyl-3-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine (PubChem CID 62004899) has the molecular formula C14H27F3N2O and a molecular weight of 296.38 g/mol. Its IUPAC name is 1-(aminomethyl)-N-ethyl-3-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-ethyl-3-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine
PubChem CID62004899
Molecular FormulaC14H27F3N2O
Molecular Weight296.38 g/mol
Exact Mass296.21
IUPAC Name1-(aminomethyl)-N-ethyl-3-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine
SMILESCCN(CCOCC(F)(F)F)C1(CN)CCCC(C)C1
InChIInChI=1S/C14H27F3N2O/c1-3-19(7-8-20-11-14(15,16)17)13(10-18)6-4-5-12(2)9-13/h12H,3-11,18H2,1-2H3
InChIKeyTVTZZTLUYCEXSA-UHFFFAOYSA-N
XLogP2.79
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.38
LogP ≤ 52.79
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-ethyl-3-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-ethyl-3-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine (CID 62004899) is 1-(aminomethyl)-N-ethyl-3-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-ethyl-3-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-ethyl-3-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine is CCN(CCOCC(F)(F)F)C1(CN)CCCC(C)C1.
What is the InChIKey of 1-(aminomethyl)-N-ethyl-3-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine?
The InChIKey is TVTZZTLUYCEXSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27F3N2O/c1-3-19(7-8-20-11-14(15,16)17)13(10-18)6-4-5-12(2)9-13/h12H,3-11,18H2,1-2H3.
What are the key properties of 1-(aminomethyl)-N-ethyl-3-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine?
1-(aminomethyl)-N-ethyl-3-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine has a molecular weight of 296.38 g/mol, XLogP of 2.79, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-ethyl-3-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine is sourced from PubChem (CID 62004899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).