tert-butyl N-[4-(1-ethoxypropan-2-ylamino)cyclohexyl]carbamate

C16H32N2O3 — CID 79114552

IUPACtert-butyl N-[4-(1-ethoxypropan-2-ylamino)cyclohexyl]carbamate
SMILESCCOCC(C)NC1CCC(NC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C16H32N2O3/c1-6-20-11-12(2)17-13-7-9-14(10-8-13)18-15(19)21-16(3,4)5/h12-14,17H,6-11H2,1-5H3,(H,18,19)
InChIKeyMMVZJUPCYSIHPS-UHFFFAOYSA-N
MW300.44 g/mol
LogP2.84
Rot. Bonds6

About tert-butyl N-[4-(1-ethoxypropan-2-ylamino)cyclohexyl]carbamate

tert-butyl N-[4-(1-ethoxypropan-2-ylamino)cyclohexyl]carbamate (PubChem CID 79114552) has the molecular formula C16H32N2O3 and a molecular weight of 300.44 g/mol. Its IUPAC name is tert-butyl N-[4-(1-ethoxypropan-2-ylamino)cyclohexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-(1-ethoxypropan-2-ylamino)cyclohexyl]carbamate
PubChem CID79114552
Molecular FormulaC16H32N2O3
Molecular Weight300.44 g/mol
Exact Mass300.24
IUPAC Nametert-butyl N-[4-(1-ethoxypropan-2-ylamino)cyclohexyl]carbamate
SMILESCCOCC(C)NC1CCC(NC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C16H32N2O3/c1-6-20-11-12(2)17-13-7-9-14(10-8-13)18-15(19)21-16(3,4)5/h12-14,17H,6-11H2,1-5H3,(H,18,19)
InChIKeyMMVZJUPCYSIHPS-UHFFFAOYSA-N
XLogP2.84
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.44
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-(4-(ethylamino)cyclohexyl)carbamate
CID 59201756
tert-butyl N-[4-[2-methoxyethyl-(2,2,2-trifluoroacetyl)amino]cyclohexyl]carbamate
CID 154687206
2-(dimethylamino)ethyl N-cyclohexylcarbamate
CID 4388144
tert-butyl N-[6-(cyclohexylamino)hexyl]carbamate
CID 10590220
(2-Hydroxyethyl)triethylammonium bromide cyclohexanecarbamate
CID 24833380
Diethyl(2-hydroxyethyl)ammonium chloride cyclohexanecarbamate
CID 24837030
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
tert-butyl N-[3-[2-(2,2,2-trifluoroethoxy)ethylamino]cyclohexyl]carbamate
CID 103720230
tert-butyl N-[3-[2-(2,2-difluoroethoxy)ethylamino]cyclohexyl]carbamate
CID 105905867
2-tert-Butoxycarbonylamino-3-octadecylcarbamoyloxypropane
CID 19884226
Di-tert-butyl cyclohexane-1,4-diyldicarbamate
CID 53596620

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-(1-ethoxypropan-2-ylamino)cyclohexyl]carbamate?
The IUPAC name of tert-butyl N-[4-(1-ethoxypropan-2-ylamino)cyclohexyl]carbamate (CID 79114552) is tert-butyl N-[4-(1-ethoxypropan-2-ylamino)cyclohexyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-(1-ethoxypropan-2-ylamino)cyclohexyl]carbamate?
The canonical SMILES for tert-butyl N-[4-(1-ethoxypropan-2-ylamino)cyclohexyl]carbamate is CCOCC(C)NC1CCC(NC(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl N-[4-(1-ethoxypropan-2-ylamino)cyclohexyl]carbamate?
The InChIKey is MMVZJUPCYSIHPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O3/c1-6-20-11-12(2)17-13-7-9-14(10-8-13)18-15(19)21-16(3,4)5/h12-14,17H,6-11H2,1-5H3,(H,18,19).
What are the key properties of tert-butyl N-[4-(1-ethoxypropan-2-ylamino)cyclohexyl]carbamate?
tert-butyl N-[4-(1-ethoxypropan-2-ylamino)cyclohexyl]carbamate has a molecular weight of 300.44 g/mol, XLogP of 2.84, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-(1-ethoxypropan-2-ylamino)cyclohexyl]carbamate is sourced from PubChem (CID 79114552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).