tert-butyl N-[[2-[(1-methoxy-3-methylbutan-2-yl)amino]cyclohexyl]methyl]carbamate

C18H36N2O3 — CID 103695529

IUPACtert-butyl N-[[2-[(1-methoxy-3-methylbutan-2-yl)amino]cyclohexyl]methyl]carbamate
SMILESCOCC(NC1CCCCC1CNC(=O)OC(C)(C)C)C(C)C
InChIInChI=1S/C18H36N2O3/c1-13(2)16(12-22-6)20-15-10-8-7-9-14(15)11-19-17(21)23-18(3,4)5/h13-16,20H,7-12H2,1-6H3,(H,19,21)
InChIKeyYIKSSBMZHDOIIF-UHFFFAOYSA-N
MW328.50 g/mol
LogP3.33
Rot. Bonds7

About tert-butyl N-[[2-[(1-methoxy-3-methylbutan-2-yl)amino]cyclohexyl]methyl]carbamate

tert-butyl N-[[2-[(1-methoxy-3-methylbutan-2-yl)amino]cyclohexyl]methyl]carbamate (PubChem CID 103695529) has the molecular formula C18H36N2O3 and a molecular weight of 328.50 g/mol. Its IUPAC name is tert-butyl N-[[2-[(1-methoxy-3-methylbutan-2-yl)amino]cyclohexyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[2-[(1-methoxy-3-methylbutan-2-yl)amino]cyclohexyl]methyl]carbamate
PubChem CID103695529
Molecular FormulaC18H36N2O3
Molecular Weight328.50 g/mol
Exact Mass328.27
IUPAC Nametert-butyl N-[[2-[(1-methoxy-3-methylbutan-2-yl)amino]cyclohexyl]methyl]carbamate
SMILESCOCC(NC1CCCCC1CNC(=O)OC(C)(C)C)C(C)C
InChIInChI=1S/C18H36N2O3/c1-13(2)16(12-22-6)20-15-10-8-7-9-14(15)11-19-17(21)23-18(3,4)5/h13-16,20H,7-12H2,1-6H3,(H,19,21)
InChIKeyYIKSSBMZHDOIIF-UHFFFAOYSA-N
XLogP3.33
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.50
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[[2-[(1-methoxy-3-methylbutan-2-yl)amino]cyclohexyl]methyl]carbamate with MolForge

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Related Compounds

tert-Butyl ((1R,2S)-2-(aminomethyl)cyclohexyl)carbamate
CID 68007523
tert-butyl N-(2-(aminomethyl)cyclohexyl)carbamate
CID 69840624
tert-butyl N-((2-aminocyclohexyl)methyl)carbamate
CID 50986498
rac-tert-butyl N-{[(1R,2R)-2-aminocyclohexyl]methyl}carbamate
CID 52421365
tert-butyl N-[[2-[2-(2,2-difluoroethoxy)ethylamino]cyclohexyl]methyl]carbamate
CID 102978141
tert-butyl N-[[4-(2-methoxyethylamino)cyclohexyl]methyl]carbamate
CID 22253998
Methyl 2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]methylamino]acetate
CID 54233388
tert-butyl N-[(2S)-1-cyclohexyl-3-ethoxypropan-2-yl]carbamate
CID 57790341
tert-butyl N-[(2S)-1-cyclohexyl-3-methoxypropan-2-yl]carbamate
CID 57790705
tert-butyl N-[(2R)-1-cyclohexyl-3-methoxypropan-2-yl]carbamate
CID 57790779
tert-butyl N-[(1S)-1-cyclohexyl-2-methoxyethyl]carbamate
CID 57790811
tert-butyl N-[(2R)-1-cyclohexyl-3-ethoxypropan-2-yl]carbamate
CID 57791113

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[2-[(1-methoxy-3-methylbutan-2-yl)amino]cyclohexyl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[2-[(1-methoxy-3-methylbutan-2-yl)amino]cyclohexyl]methyl]carbamate (CID 103695529) is tert-butyl N-[[2-[(1-methoxy-3-methylbutan-2-yl)amino]cyclohexyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[2-[(1-methoxy-3-methylbutan-2-yl)amino]cyclohexyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[2-[(1-methoxy-3-methylbutan-2-yl)amino]cyclohexyl]methyl]carbamate is COCC(NC1CCCCC1CNC(=O)OC(C)(C)C)C(C)C.
What is the InChIKey of tert-butyl N-[[2-[(1-methoxy-3-methylbutan-2-yl)amino]cyclohexyl]methyl]carbamate?
The InChIKey is YIKSSBMZHDOIIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2O3/c1-13(2)16(12-22-6)20-15-10-8-7-9-14(15)11-19-17(21)23-18(3,4)5/h13-16,20H,7-12H2,1-6H3,(H,19,21).
What are the key properties of tert-butyl N-[[2-[(1-methoxy-3-methylbutan-2-yl)amino]cyclohexyl]methyl]carbamate?
tert-butyl N-[[2-[(1-methoxy-3-methylbutan-2-yl)amino]cyclohexyl]methyl]carbamate has a molecular weight of 328.50 g/mol, XLogP of 3.33, 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-[(1-methoxy-3-methylbutan-2-yl)amino]cyclohexyl]methyl]carbamate is sourced from PubChem (CID 103695529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).