tert-butyl N-[2-[[2-(trifluoromethyl)cyclohexyl]amino]ethyl]carbamate

C14H25F3N2O2 — CID 115607086

IUPACtert-butyl N-[2-[[2-(trifluoromethyl)cyclohexyl]amino]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCNC1CCCCC1C(F)(F)F
InChIInChI=1S/C14H25F3N2O2/c1-13(2,3)21-12(20)19-9-8-18-11-7-5-4-6-10(11)14(15,16)17/h10-11,18H,4-9H2,1-3H3,(H,19,20)
InChIKeyKEVITOSGUWIMDM-UHFFFAOYSA-N
MW310.36 g/mol
LogP3.22
Rot. Bonds4

About tert-butyl N-[2-[[2-(trifluoromethyl)cyclohexyl]amino]ethyl]carbamate

tert-butyl N-[2-[[2-(trifluoromethyl)cyclohexyl]amino]ethyl]carbamate (PubChem CID 115607086) has the molecular formula C14H25F3N2O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is tert-butyl N-[2-[[2-(trifluoromethyl)cyclohexyl]amino]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[[2-(trifluoromethyl)cyclohexyl]amino]ethyl]carbamate
PubChem CID115607086
Molecular FormulaC14H25F3N2O2
Molecular Weight310.36 g/mol
Exact Mass310.19
IUPAC Nametert-butyl N-[2-[[2-(trifluoromethyl)cyclohexyl]amino]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCNC1CCCCC1C(F)(F)F
InChIInChI=1S/C14H25F3N2O2/c1-13(2,3)21-12(20)19-9-8-18-11-7-5-4-6-10(11)14(15,16)17/h10-11,18H,4-9H2,1-3H3,(H,19,20)
InChIKeyKEVITOSGUWIMDM-UHFFFAOYSA-N
XLogP3.22
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[2-[[(1R,2R)-2-hydroxycyclobutyl]amino]ethyl]carbamate
CID 130649334
tert-butyl N-[2-(cyclododecylamino)ethyl]carbamate
CID 107241352
N-propyl-3-[[2-(trifluoromethyl)cyclohexyl]amino]propanamide
CID 64756871
tert-butyl N-[[2-[2-(carbamoylamino)ethylamino]cyclopentyl]methyl]carbamate
CID 83112671
tert-butyl N-[[2-[2-(tert-butylamino)ethylamino]cyclohexyl]methyl]carbamate
CID 107446347
tert-butyl N-[[(1R,2S)-2-(trifluoromethyl)cyclobutyl]methyl]carbamate
CID 155904648
tert-butyl N-[2-(piperidin-2-ylamino)ethyl]carbamate
CID 15503758
tert-butyl N-[2-[[(2R)-2-methylpiperidine-1-carbonyl]amino]ethyl]carbamate
CID 95321341
tert-butyl N-[[(2R,3S)-3-(trifluoromethyl)piperidin-2-yl]methyl]carbamate
CID 154442495
N-ethyl-2-[[2-(trifluoromethyl)cyclohexyl]amino]acetamide
CID 64758268
N-[2-(2-methoxyethoxy)ethyl]-2-(trifluoromethyl)cyclohexan-1-amine
CID 64759706
tert-butyl N-[2-[(2-methylcyclohexyl)carbamothioylamino]ethyl]carbamate
CID 84556062

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[[2-(trifluoromethyl)cyclohexyl]amino]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[[2-(trifluoromethyl)cyclohexyl]amino]ethyl]carbamate (CID 115607086) is tert-butyl N-[2-[[2-(trifluoromethyl)cyclohexyl]amino]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[[2-(trifluoromethyl)cyclohexyl]amino]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[[2-(trifluoromethyl)cyclohexyl]amino]ethyl]carbamate is CC(C)(C)OC(=O)NCCNC1CCCCC1C(F)(F)F.
What is the InChIKey of tert-butyl N-[2-[[2-(trifluoromethyl)cyclohexyl]amino]ethyl]carbamate?
The InChIKey is KEVITOSGUWIMDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F3N2O2/c1-13(2,3)21-12(20)19-9-8-18-11-7-5-4-6-10(11)14(15,16)17/h10-11,18H,4-9H2,1-3H3,(H,19,20).
What are the key properties of tert-butyl N-[2-[[2-(trifluoromethyl)cyclohexyl]amino]ethyl]carbamate?
tert-butyl N-[2-[[2-(trifluoromethyl)cyclohexyl]amino]ethyl]carbamate has a molecular weight of 310.36 g/mol, XLogP of 3.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[[2-(trifluoromethyl)cyclohexyl]amino]ethyl]carbamate is sourced from PubChem (CID 115607086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).