4-tert-butyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine

C14H26F3NO — CID 60733032

IUPAC4-tert-butyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine
SMILESCC(C)(C)C1CCC(NCCOCC(F)(F)F)CC1
InChIInChI=1S/C14H26F3NO/c1-13(2,3)11-4-6-12(7-5-11)18-8-9-19-10-14(15,16)17/h11-12,18H,4-10H2,1-3H3
InChIKeyPRLNXYFBBCHZIM-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.76
Rot. Bonds5

About 4-tert-butyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine

4-tert-butyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine (PubChem CID 60733032) has the molecular formula C14H26F3NO and a molecular weight of 281.36 g/mol. Its IUPAC name is 4-tert-butyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-tert-butyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine
PubChem CID60733032
Molecular FormulaC14H26F3NO
Molecular Weight281.36 g/mol
Exact Mass281.20
IUPAC Name4-tert-butyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine
SMILESCC(C)(C)C1CCC(NCCOCC(F)(F)F)CC1
InChIInChI=1S/C14H26F3NO/c1-13(2,3)11-4-6-12(7-5-11)18-8-9-19-10-14(15,16)17/h11-12,18H,4-10H2,1-3H3
InChIKeyPRLNXYFBBCHZIM-UHFFFAOYSA-N
XLogP3.76
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-tert-butyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine hydrochloride
CID 137838564
N-(2-butoxyethyl)-4-fluoro-4-methylcyclohexan-1-amine
CID 167101588
N-(2-ethoxyethyl)-4-fluoro-4-methylcyclohexan-1-amine
CID 167101589
N-(4-methylcyclohexyl)-3-(trifluoromethyl)oxetan-3-amine
CID 169614710
N-[4-(2-fluoropropan-2-yl)cyclohexyl]oxan-3-amine
CID 170209834
(3R)-4-(4-methyl-4-propan-2-ylcyclohexyl)-3-(trifluoromethyl)morpholine
CID 170395408
4-(4-Methyl-4-propan-2-ylcyclohexyl)-3-(trifluoromethyl)morpholine
CID 170589069
4-propyl-N-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexan-1-amine
CID 54937801
2-cyclohexyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine
CID 54961752
N-[(4-ethylcyclohexyl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
CID 54961803
4-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexan-1-amine
CID 54961861
2-ethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine
CID 54962010

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine?
The IUPAC name of 4-tert-butyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine (CID 60733032) is 4-tert-butyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine.
What is the SMILES notation for 4-tert-butyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine?
The canonical SMILES for 4-tert-butyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine is CC(C)(C)C1CCC(NCCOCC(F)(F)F)CC1.
What is the InChIKey of 4-tert-butyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine?
The InChIKey is PRLNXYFBBCHZIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26F3NO/c1-13(2,3)11-4-6-12(7-5-11)18-8-9-19-10-14(15,16)17/h11-12,18H,4-10H2,1-3H3.
What are the key properties of 4-tert-butyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine?
4-tert-butyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine has a molecular weight of 281.36 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine is sourced from PubChem (CID 60733032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).