tert-butyl N-[4-[2-(2-methylpropoxy)ethylamino]cyclohexyl]carbamate

C17H34N2O3 — CID 103947739

IUPACtert-butyl N-[4-[2-(2-methylpropoxy)ethylamino]cyclohexyl]carbamate
SMILESCC(C)COCCNC1CCC(NC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C17H34N2O3/c1-13(2)12-21-11-10-18-14-6-8-15(9-7-14)19-16(20)22-17(3,4)5/h13-15,18H,6-12H2,1-5H3,(H,19,20)
InChIKeyBIPKWZNRESWDCR-UHFFFAOYSA-N
MW314.47 g/mol
LogP3.08
Rot. Bonds7

About tert-butyl N-[4-[2-(2-methylpropoxy)ethylamino]cyclohexyl]carbamate

tert-butyl N-[4-[2-(2-methylpropoxy)ethylamino]cyclohexyl]carbamate (PubChem CID 103947739) has the molecular formula C17H34N2O3 and a molecular weight of 314.47 g/mol. Its IUPAC name is tert-butyl N-[4-[2-(2-methylpropoxy)ethylamino]cyclohexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[2-(2-methylpropoxy)ethylamino]cyclohexyl]carbamate
PubChem CID103947739
Molecular FormulaC17H34N2O3
Molecular Weight314.47 g/mol
Exact Mass314.26
IUPAC Nametert-butyl N-[4-[2-(2-methylpropoxy)ethylamino]cyclohexyl]carbamate
SMILESCC(C)COCCNC1CCC(NC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C17H34N2O3/c1-13(2)12-21-11-10-18-14-6-8-15(9-7-14)19-16(20)22-17(3,4)5/h13-15,18H,6-12H2,1-5H3,(H,19,20)
InChIKeyBIPKWZNRESWDCR-UHFFFAOYSA-N
XLogP3.08
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.47
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-(4-(ethylamino)cyclohexyl)carbamate
CID 59201756
tert-butyl N-[6-(cyclohexylamino)hexyl]carbamate
CID 10590220
tert-butyl N-[4-[2-(2,2-difluoroethoxy)ethylamino]cyclohexyl]carbamate
CID 103082623
tert-butyl N-[4-[2-(2,2,2-trifluoroethoxy)ethylamino]cyclohexyl]carbamate
CID 103715535
2-tert-Butoxycarbonylamino-3-octadecylcarbamoyloxypropane
CID 19884226
tert-butyl N-[[4-(2-methoxyethylamino)cyclohexyl]methyl]carbamate
CID 22253998
2-methylpropyl N-(4-aminocyclohexyl)carbamate
CID 43653620
tert-butyl N-[4-(2-methoxyethylamino)cyclohexyl]-N-methylcarbamate
CID 53716237
tert-butyl N-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]carbamate
CID 57632455
tert-Butyl (trans-4-morpholinocyclohexyl)carbamate
CID 57698131
(4-Isopropylamino-cyclohexyl)-carbamic acid tert-butyl ester
CID 66569216
tert-Butyl (1R*,4R*)-4-(cyclohexylamino)cyclohexylcarbamate
CID 66872153

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[2-(2-methylpropoxy)ethylamino]cyclohexyl]carbamate?
The IUPAC name of tert-butyl N-[4-[2-(2-methylpropoxy)ethylamino]cyclohexyl]carbamate (CID 103947739) is tert-butyl N-[4-[2-(2-methylpropoxy)ethylamino]cyclohexyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[2-(2-methylpropoxy)ethylamino]cyclohexyl]carbamate?
The canonical SMILES for tert-butyl N-[4-[2-(2-methylpropoxy)ethylamino]cyclohexyl]carbamate is CC(C)COCCNC1CCC(NC(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl N-[4-[2-(2-methylpropoxy)ethylamino]cyclohexyl]carbamate?
The InChIKey is BIPKWZNRESWDCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O3/c1-13(2)12-21-11-10-18-14-6-8-15(9-7-14)19-16(20)22-17(3,4)5/h13-15,18H,6-12H2,1-5H3,(H,19,20).
What are the key properties of tert-butyl N-[4-[2-(2-methylpropoxy)ethylamino]cyclohexyl]carbamate?
tert-butyl N-[4-[2-(2-methylpropoxy)ethylamino]cyclohexyl]carbamate has a molecular weight of 314.47 g/mol, XLogP of 3.08, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[2-(2-methylpropoxy)ethylamino]cyclohexyl]carbamate is sourced from PubChem (CID 103947739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).