tert-butyl N-[[2-(2-ethoxypropylamino)cyclohexyl]methyl]carbamate

C17H34N2O3 — CID 103948515

IUPACtert-butyl N-[[2-(2-ethoxypropylamino)cyclohexyl]methyl]carbamate
SMILESCCOC(C)CNC1CCCCC1CNC(=O)OC(C)(C)C
InChIInChI=1S/C17H34N2O3/c1-6-21-13(2)11-18-15-10-8-7-9-14(15)12-19-16(20)22-17(3,4)5/h13-15,18H,6-12H2,1-5H3,(H,19,20)
InChIKeyUIAONOQOARLUHE-UHFFFAOYSA-N
MW314.47 g/mol
LogP3.08
Rot. Bonds7

About tert-butyl N-[[2-(2-ethoxypropylamino)cyclohexyl]methyl]carbamate

tert-butyl N-[[2-(2-ethoxypropylamino)cyclohexyl]methyl]carbamate (PubChem CID 103948515) has the molecular formula C17H34N2O3 and a molecular weight of 314.47 g/mol. Its IUPAC name is tert-butyl N-[[2-(2-ethoxypropylamino)cyclohexyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[2-(2-ethoxypropylamino)cyclohexyl]methyl]carbamate
PubChem CID103948515
Molecular FormulaC17H34N2O3
Molecular Weight314.47 g/mol
Exact Mass314.26
IUPAC Nametert-butyl N-[[2-(2-ethoxypropylamino)cyclohexyl]methyl]carbamate
SMILESCCOC(C)CNC1CCCCC1CNC(=O)OC(C)(C)C
InChIInChI=1S/C17H34N2O3/c1-6-21-13(2)11-18-15-10-8-7-9-14(15)12-19-16(20)22-17(3,4)5/h13-15,18H,6-12H2,1-5H3,(H,19,20)
InChIKeyUIAONOQOARLUHE-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

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Related Compounds

tert-butyl N-[(1S)-1-cyclohexyl-2-morpholin-4-ylethyl]carbamate
CID 10859933
tert-butyl N-[[2-[2-(2,2-difluoroethoxy)ethylamino]cyclohexyl]methyl]carbamate
CID 102978141
Tert-butyl 4-(cyclohexylmethyl)-2,2-dimethyl-5-[(propan-2-ylamino)methyl]-1,3-oxazolidine-3-carboxylate
CID 19736481
tert-butyl N-[[4-(2-methoxyethylamino)cyclohexyl]methyl]carbamate
CID 22253998
tert-butyl (4S,5R)-4-(cyclohexylmethyl)-2,2-dimethyl-5-[(propan-2-ylamino)methyl]-1,3-oxazolidine-3-carboxylate
CID 22849171
Methyl 2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]methylamino]acetate
CID 54233388
Racemic-1,1-dimethylethyl ((1s,2s)-2-{[(2-methylpropyl)amino]methyl}cyclohexyl)carbamate
CID 58015323
tert-butyl (4R)-4-(cyclohexylmethyl)-2,2-dimethyl-5-(propylaminomethyl)-1,3-oxazolidine-3-carboxylate
CID 67853390
tert-Butyl (trans-4-(morpholinomethyl)cyclohexyl)carbamate
CID 70944286
tert-butyl((1R*,2S*)-2-{[(3R)-3-ethoxypiperidin-1-yl]methyl}cyclohexyl)carbamate
CID 71159939
tert-butyl N-[(2R)-2-[[(3R)-3-(2-methoxyethoxy)piperidin-1-yl]methyl]cyclohexyl]carbamate
CID 71159991
tert-butyl N-[2-[[(3R)-3-(2-methoxyethoxy)piperidin-1-yl]methyl]cyclohexyl]carbamate
CID 71160042

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[2-(2-ethoxypropylamino)cyclohexyl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[2-(2-ethoxypropylamino)cyclohexyl]methyl]carbamate (CID 103948515) is tert-butyl N-[[2-(2-ethoxypropylamino)cyclohexyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[2-(2-ethoxypropylamino)cyclohexyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[2-(2-ethoxypropylamino)cyclohexyl]methyl]carbamate is CCOC(C)CNC1CCCCC1CNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[[2-(2-ethoxypropylamino)cyclohexyl]methyl]carbamate?
The InChIKey is UIAONOQOARLUHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O3/c1-6-21-13(2)11-18-15-10-8-7-9-14(15)12-19-16(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-[[2-(2-ethoxypropylamino)cyclohexyl]methyl]carbamate?
tert-butyl N-[[2-(2-ethoxypropylamino)cyclohexyl]methyl]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-[[2-(2-ethoxypropylamino)cyclohexyl]methyl]carbamate is sourced from PubChem (CID 103948515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).