tert-butyl N-[3-(1-cyclohexylethylamino)cyclobutyl]carbamate

C17H32N2O2 — CID 80560825

IUPACtert-butyl N-[3-(1-cyclohexylethylamino)cyclobutyl]carbamate
SMILESCC(NC1CC(NC(=O)OC(C)(C)C)C1)C1CCCCC1
InChIInChI=1S/C17H32N2O2/c1-12(13-8-6-5-7-9-13)18-14-10-15(11-14)19-16(20)21-17(2,3)4/h12-15,18H,5-11H2,1-4H3,(H,19,20)
InChIKeyVJDQORFJNGTTHL-UHFFFAOYSA-N
MW296.45 g/mol
LogP3.60
Rot. Bonds4

About tert-butyl N-[3-(1-cyclohexylethylamino)cyclobutyl]carbamate

tert-butyl N-[3-(1-cyclohexylethylamino)cyclobutyl]carbamate (PubChem CID 80560825) has the molecular formula C17H32N2O2 and a molecular weight of 296.45 g/mol. Its IUPAC name is tert-butyl N-[3-(1-cyclohexylethylamino)cyclobutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(1-cyclohexylethylamino)cyclobutyl]carbamate
PubChem CID80560825
Molecular FormulaC17H32N2O2
Molecular Weight296.45 g/mol
Exact Mass296.25
IUPAC Nametert-butyl N-[3-(1-cyclohexylethylamino)cyclobutyl]carbamate
SMILESCC(NC1CC(NC(=O)OC(C)(C)C)C1)C1CCCCC1
InChIInChI=1S/C17H32N2O2/c1-12(13-8-6-5-7-9-13)18-14-10-15(11-14)19-16(20)21-17(2,3)4/h12-15,18H,5-11H2,1-4H3,(H,19,20)
InChIKeyVJDQORFJNGTTHL-UHFFFAOYSA-N
XLogP3.60
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.45
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[3-[[(1S)-1-cyclohexylethyl]amino]cyclohexyl]carbamate
CID 103791676
tert-butyl N-[2-(1-cyclopropylethylamino)cycloheptyl]carbamate
CID 103082516
methyl (2S)-2-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]amino]propanoate
CID 80560632
tert-butyl N-[(1R,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate
CID 22884203
tert-butyl N-[3-(1-piperidin-1-ylpropan-2-ylamino)cyclobutyl]carbamate
CID 103759524
tert-butyl N-[3-(tert-butylamino)cyclobutyl]carbamate
CID 134462413
tert-butyl N-[(1S,3S)-3-(2-methylpropanoylamino)cyclohexyl]carbamate
CID 99581442
tert-butyl N-[3-(cycloheptylamino)cyclopentyl]carbamate
CID 79461407
tert-butyl N-[3-(4-hydroxybutan-2-ylamino)cyclobutyl]carbamate
CID 83178088
tert-butyl N-[3-[(2-propan-2-ylcyclohexyl)amino]cyclobutyl]carbamate
CID 103857635
tert-butyl N-[(1R,2R)-1-cyclohexyl-1-hydroxy-3-methylbutan-2-yl]carbamate
CID 102037529
tert-butyl N-[[(1S)-1-cyclohexylethyl]carbamoyl]carbamate
CID 142180276

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(1-cyclohexylethylamino)cyclobutyl]carbamate?
The IUPAC name of tert-butyl N-[3-(1-cyclohexylethylamino)cyclobutyl]carbamate (CID 80560825) is tert-butyl N-[3-(1-cyclohexylethylamino)cyclobutyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(1-cyclohexylethylamino)cyclobutyl]carbamate?
The canonical SMILES for tert-butyl N-[3-(1-cyclohexylethylamino)cyclobutyl]carbamate is CC(NC1CC(NC(=O)OC(C)(C)C)C1)C1CCCCC1.
What is the InChIKey of tert-butyl N-[3-(1-cyclohexylethylamino)cyclobutyl]carbamate?
The InChIKey is VJDQORFJNGTTHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O2/c1-12(13-8-6-5-7-9-13)18-14-10-15(11-14)19-16(20)21-17(2,3)4/h12-15,18H,5-11H2,1-4H3,(H,19,20).
What are the key properties of tert-butyl N-[3-(1-cyclohexylethylamino)cyclobutyl]carbamate?
tert-butyl N-[3-(1-cyclohexylethylamino)cyclobutyl]carbamate has a molecular weight of 296.45 g/mol, XLogP of 3.60, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(1-cyclohexylethylamino)cyclobutyl]carbamate is sourced from PubChem (CID 80560825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).