tert-butyl N-[2-methyl-1-[[4-(trifluoromethyl)cyclohexyl]amino]propan-2-yl]carbamate

C16H29F3N2O2 — CID 104624550

IUPACtert-butyl N-[2-methyl-1-[[4-(trifluoromethyl)cyclohexyl]amino]propan-2-yl]carbamate
SMILESCC(C)(CNC1CCC(C(F)(F)F)CC1)NC(=O)OC(C)(C)C
InChIInChI=1S/C16H29F3N2O2/c1-14(2,3)23-13(22)21-15(4,5)10-20-12-8-6-11(7-9-12)16(17,18)19/h11-12,20H,6-10H2,1-5H3,(H,21,22)
InChIKeyCNGRUFOHARXTFD-UHFFFAOYSA-N
MW338.41 g/mol
LogP4.00
Rot. Bonds4

About tert-butyl N-[2-methyl-1-[[4-(trifluoromethyl)cyclohexyl]amino]propan-2-yl]carbamate

tert-butyl N-[2-methyl-1-[[4-(trifluoromethyl)cyclohexyl]amino]propan-2-yl]carbamate (PubChem CID 104624550) has the molecular formula C16H29F3N2O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is tert-butyl N-[2-methyl-1-[[4-(trifluoromethyl)cyclohexyl]amino]propan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-methyl-1-[[4-(trifluoromethyl)cyclohexyl]amino]propan-2-yl]carbamate
PubChem CID104624550
Molecular FormulaC16H29F3N2O2
Molecular Weight338.41 g/mol
Exact Mass338.22
IUPAC Nametert-butyl N-[2-methyl-1-[[4-(trifluoromethyl)cyclohexyl]amino]propan-2-yl]carbamate
SMILESCC(C)(CNC1CCC(C(F)(F)F)CC1)NC(=O)OC(C)(C)C
InChIInChI=1S/C16H29F3N2O2/c1-14(2,3)23-13(22)21-15(4,5)10-20-12-8-6-11(7-9-12)16(17,18)19/h11-12,20H,6-10H2,1-5H3,(H,21,22)
InChIKeyCNGRUFOHARXTFD-UHFFFAOYSA-N
XLogP4.00
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[1-[(4-ethylcycloheptyl)amino]-2-methylpropan-2-yl]carbamate
CID 107249963
tert-butyl N-[1-[(3-methoxycyclohexyl)amino]-2-methylpropan-2-yl]carbamate
CID 104624820
tert-butyl N-[3-(cycloheptylamino)-2,2-difluoropropyl]carbamate
CID 107257366
tert-butyl N-[2-methyl-1-[(1-methylpiperidin-3-yl)amino]propan-2-yl]carbamate
CID 104624574
tert-butyl N-[2-[[4-(trifluoromethyl)cyclohexyl]amino]cyclopropyl]carbamate
CID 107238283
tert-butyl N-[2-[[4-(trifluoromethyl)cyclohexyl]amino]butyl]carbamate
CID 107251355
tert-butyl N-[2,2-difluoro-3-[(4-methylcycloheptyl)amino]propyl]carbamate
CID 107257414
tert-butyl N-[3-[[(4-ethylcyclohexyl)amino]methyl]pentan-3-yl]carbamate
CID 107251589
tert-butyl N-[(3R)-3-(2,2,2-trifluoroethylamino)cyclopentyl]carbamate;molecular hydrogen
CID 158239331
tert-butyl N-[2-methyl-1-[(2-propyloxan-4-yl)amino]propan-2-yl]carbamate
CID 103991365
tert-butyl N-[3-[(3-aminocyclopentyl)amino]-2,2-difluoropropyl]carbamate
CID 107257482
tert-butyl N-[3-[[(4-methylcycloheptyl)amino]methyl]pentan-3-yl]carbamate
CID 107251671

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-methyl-1-[[4-(trifluoromethyl)cyclohexyl]amino]propan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[2-methyl-1-[[4-(trifluoromethyl)cyclohexyl]amino]propan-2-yl]carbamate (CID 104624550) is tert-butyl N-[2-methyl-1-[[4-(trifluoromethyl)cyclohexyl]amino]propan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[2-methyl-1-[[4-(trifluoromethyl)cyclohexyl]amino]propan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[2-methyl-1-[[4-(trifluoromethyl)cyclohexyl]amino]propan-2-yl]carbamate is CC(C)(CNC1CCC(C(F)(F)F)CC1)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-methyl-1-[[4-(trifluoromethyl)cyclohexyl]amino]propan-2-yl]carbamate?
The InChIKey is CNGRUFOHARXTFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29F3N2O2/c1-14(2,3)23-13(22)21-15(4,5)10-20-12-8-6-11(7-9-12)16(17,18)19/h11-12,20H,6-10H2,1-5H3,(H,21,22).
What are the key properties of tert-butyl N-[2-methyl-1-[[4-(trifluoromethyl)cyclohexyl]amino]propan-2-yl]carbamate?
tert-butyl N-[2-methyl-1-[[4-(trifluoromethyl)cyclohexyl]amino]propan-2-yl]carbamate has a molecular weight of 338.41 g/mol, XLogP of 4.00, 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-methyl-1-[[4-(trifluoromethyl)cyclohexyl]amino]propan-2-yl]carbamate is sourced from PubChem (CID 104624550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).