tert-butyl N-[3-[2-(2,2,2-trifluoroethoxy)ethylamino]cyclohexyl]carbamate

C15H27F3N2O3 — CID 103720230

IUPACtert-butyl N-[3-[2-(2,2,2-trifluoroethoxy)ethylamino]cyclohexyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCCC(NCCOCC(F)(F)F)C1
InChIInChI=1S/C15H27F3N2O3/c1-14(2,3)23-13(21)20-12-6-4-5-11(9-12)19-7-8-22-10-15(16,17)18/h11-12,19H,4-10H2,1-3H3,(H,20,21)
InChIKeyDHPKIGWKDJQRCS-UHFFFAOYSA-N
MW340.39 g/mol
LogP2.99
Rot. Bonds6

About tert-butyl N-[3-[2-(2,2,2-trifluoroethoxy)ethylamino]cyclohexyl]carbamate

tert-butyl N-[3-[2-(2,2,2-trifluoroethoxy)ethylamino]cyclohexyl]carbamate (PubChem CID 103720230) has the molecular formula C15H27F3N2O3 and a molecular weight of 340.39 g/mol. Its IUPAC name is tert-butyl N-[3-[2-(2,2,2-trifluoroethoxy)ethylamino]cyclohexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[2-(2,2,2-trifluoroethoxy)ethylamino]cyclohexyl]carbamate
PubChem CID103720230
Molecular FormulaC15H27F3N2O3
Molecular Weight340.39 g/mol
Exact Mass340.20
IUPAC Nametert-butyl N-[3-[2-(2,2,2-trifluoroethoxy)ethylamino]cyclohexyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCCC(NCCOCC(F)(F)F)C1
InChIInChI=1S/C15H27F3N2O3/c1-14(2,3)23-13(21)20-12-6-4-5-11(9-12)19-7-8-22-10-15(16,17)18/h11-12,19H,4-10H2,1-3H3,(H,20,21)
InChIKeyDHPKIGWKDJQRCS-UHFFFAOYSA-N
XLogP2.99
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze tert-butyl N-[3-[2-(2,2,2-trifluoroethoxy)ethylamino]cyclohexyl]carbamate 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

tert-butyl N-[(1R,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate
CID 22884203
tert-butyl N-[3-[(3-amino-3-oxopropyl)amino]cyclohexyl]carbamate
CID 79458834
tert-butyl N-[(1S,3R)-3-(ethylamino)cyclohexyl]carbamate
CID 72544342
tert-butyl N-[3-(4,4,4-trifluorobutylamino)cyclopentyl]carbamate
CID 115516381
methyl 3-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]amino]propanoate
CID 79462183
tert-butyl N-[3-(3,3,3-trifluoropropanoylamino)cyclohexyl]carbamate
CID 86804554
tert-butyl N-[3-(2-cyanoethylamino)cyclohexyl]carbamate
CID 79458920
tert-butyl N-[(3R)-3-(2,2,2-trifluoroethylamino)cyclopentyl]carbamate;molecular hydrogen
CID 158239331
tert-butyl N-[3-(2-piperidin-1-ylethylamino)cyclohexyl]carbamate
CID 103720174
tert-butyl N-[3-[2-[2-methoxyethyl(methyl)amino]ethylamino]cyclohexyl]carbamate
CID 103720208
tert-butyl N-[3-[[2-(methylamino)-2-oxoethyl]amino]cyclohexyl]carbamate
CID 79459021
1-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexane-1,3-diamine
CID 79459074

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[2-(2,2,2-trifluoroethoxy)ethylamino]cyclohexyl]carbamate?
The IUPAC name of tert-butyl N-[3-[2-(2,2,2-trifluoroethoxy)ethylamino]cyclohexyl]carbamate (CID 103720230) is tert-butyl N-[3-[2-(2,2,2-trifluoroethoxy)ethylamino]cyclohexyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[2-(2,2,2-trifluoroethoxy)ethylamino]cyclohexyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[2-(2,2,2-trifluoroethoxy)ethylamino]cyclohexyl]carbamate is CC(C)(C)OC(=O)NC1CCCC(NCCOCC(F)(F)F)C1.
What is the InChIKey of tert-butyl N-[3-[2-(2,2,2-trifluoroethoxy)ethylamino]cyclohexyl]carbamate?
The InChIKey is DHPKIGWKDJQRCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27F3N2O3/c1-14(2,3)23-13(21)20-12-6-4-5-11(9-12)19-7-8-22-10-15(16,17)18/h11-12,19H,4-10H2,1-3H3,(H,20,21).
What are the key properties of tert-butyl N-[3-[2-(2,2,2-trifluoroethoxy)ethylamino]cyclohexyl]carbamate?
tert-butyl N-[3-[2-(2,2,2-trifluoroethoxy)ethylamino]cyclohexyl]carbamate has a molecular weight of 340.39 g/mol, XLogP of 2.99, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[2-(2,2,2-trifluoroethoxy)ethylamino]cyclohexyl]carbamate is sourced from PubChem (CID 103720230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).