tert-butyl N-[[2-[(2-methoxy-2-methylpropyl)amino]cyclohexyl]methyl]carbamate

C17H34N2O3 — CID 103948781

IUPACtert-butyl N-[[2-[(2-methoxy-2-methylpropyl)amino]cyclohexyl]methyl]carbamate
SMILESCOC(C)(C)CNC1CCCCC1CNC(=O)OC(C)(C)C
InChIInChI=1S/C17H34N2O3/c1-16(2,3)22-15(20)18-11-13-9-7-8-10-14(13)19-12-17(4,5)21-6/h13-14,19H,7-12H2,1-6H3,(H,18,20)
InChIKeyNEODMTPRZVMTLP-UHFFFAOYSA-N
MW314.47 g/mol
LogP3.08
Rot. Bonds6

About tert-butyl N-[[2-[(2-methoxy-2-methylpropyl)amino]cyclohexyl]methyl]carbamate

tert-butyl N-[[2-[(2-methoxy-2-methylpropyl)amino]cyclohexyl]methyl]carbamate (PubChem CID 103948781) has the molecular formula C17H34N2O3 and a molecular weight of 314.47 g/mol. Its IUPAC name is tert-butyl N-[[2-[(2-methoxy-2-methylpropyl)amino]cyclohexyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[2-[(2-methoxy-2-methylpropyl)amino]cyclohexyl]methyl]carbamate
PubChem CID103948781
Molecular FormulaC17H34N2O3
Molecular Weight314.47 g/mol
Exact Mass314.26
IUPAC Nametert-butyl N-[[2-[(2-methoxy-2-methylpropyl)amino]cyclohexyl]methyl]carbamate
SMILESCOC(C)(C)CNC1CCCCC1CNC(=O)OC(C)(C)C
InChIInChI=1S/C17H34N2O3/c1-16(2,3)22-15(20)18-11-13-9-7-8-10-14(13)19-12-17(4,5)21-6/h13-14,19H,7-12H2,1-6H3,(H,18,20)
InChIKeyNEODMTPRZVMTLP-UHFFFAOYSA-N
XLogP3.08
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
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

Analyze tert-butyl N-[[2-[(2-methoxy-2-methylpropyl)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-trifluoroethylamino)cyclohexyl]methyl]carbamate
CID 65839878
tert-butyl N-[[2-[2-(2,2-difluoroethoxy)ethylamino]cyclohexyl]methyl]carbamate
CID 102978141
tert-butyl N-[[2-(3,3,3-trifluoropropylamino)cyclohexyl]methyl]carbamate
CID 103695494
tert-butyl N-[[2-(4,4,4-trifluorobutan-2-ylamino)cyclohexyl]methyl]carbamate
CID 103786232
tert-butyl N-[3-[[2-(trifluoromethyl)cyclohexyl]amino]propyl]carbamate
CID 103821809
tert-butyl N-[[2-(4,4,4-trifluorobutylamino)cyclohexyl]methyl]carbamate
CID 103841350
tert-butyl N-[4-[[2-(trifluoromethyl)cyclohexyl]amino]butan-2-yl]carbamate
CID 107247100
tert-butyl N-[[2-(1,1-difluoropropan-2-ylamino)cyclohexyl]methyl]carbamate
CID 107251421

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[2-[(2-methoxy-2-methylpropyl)amino]cyclohexyl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[2-[(2-methoxy-2-methylpropyl)amino]cyclohexyl]methyl]carbamate (CID 103948781) is tert-butyl N-[[2-[(2-methoxy-2-methylpropyl)amino]cyclohexyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[2-[(2-methoxy-2-methylpropyl)amino]cyclohexyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[2-[(2-methoxy-2-methylpropyl)amino]cyclohexyl]methyl]carbamate is COC(C)(C)CNC1CCCCC1CNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[[2-[(2-methoxy-2-methylpropyl)amino]cyclohexyl]methyl]carbamate?
The InChIKey is NEODMTPRZVMTLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O3/c1-16(2,3)22-15(20)18-11-13-9-7-8-10-14(13)19-12-17(4,5)21-6/h13-14,19H,7-12H2,1-6H3,(H,18,20).
What are the key properties of tert-butyl N-[[2-[(2-methoxy-2-methylpropyl)amino]cyclohexyl]methyl]carbamate?
tert-butyl N-[[2-[(2-methoxy-2-methylpropyl)amino]cyclohexyl]methyl]carbamate has a molecular weight of 314.47 g/mol, XLogP of 3.08, 6 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-methoxy-2-methylpropyl)amino]cyclohexyl]methyl]carbamate is sourced from PubChem (CID 103948781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).