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

C9H20N2O3 — CID 123324286

IUPACtert-butyl N-[2-[methoxy(methyl)amino]ethyl]carbamate
SMILESCON(C)CCNC(=O)OC(C)(C)C
InChIInChI=1S/C9H20N2O3/c1-9(2,3)14-8(12)10-6-7-11(4)13-5/h6-7H2,1-5H3,(H,10,12)
InChIKeyQJJZLNDOUDRDOC-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.00
Rot. Bonds4

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

tert-butyl N-[2-[methoxy(methyl)amino]ethyl]carbamate (PubChem CID 123324286) has the molecular formula C9H20N2O3 and a molecular weight of 204.27 g/mol. Its IUPAC name is tert-butyl N-[2-[methoxy(methyl)amino]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[methoxy(methyl)amino]ethyl]carbamate
PubChem CID123324286
Molecular FormulaC9H20N2O3
Molecular Weight204.27 g/mol
Exact Mass204.15
IUPAC Nametert-butyl N-[2-[methoxy(methyl)amino]ethyl]carbamate
SMILESCON(C)CCNC(=O)OC(C)(C)C
InChIInChI=1S/C9H20N2O3/c1-9(2,3)14-8(12)10-6-7-11(4)13-5/h6-7H2,1-5H3,(H,10,12)
InChIKeyQJJZLNDOUDRDOC-UHFFFAOYSA-N
XLogP1.00
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[2-[2-methoxyethyl(methyl)amino]ethyl]carbamate
CID 65142937
tert-butyl N-[2-[methyl(methylsulfonyl)amino]ethyl]carbamate
CID 139270813
tert-butyl N-[2-[2-hydroxypropyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]ethyl]carbamate
CID 102239667
tert-butyl N-[2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]ethyl]carbamate
CID 166846114
tert-butyl N-[2-(dimethylcarbamoylamino)ethyl]carbamate
CID 78978111
tert-butyl N-[2-[benzoyl(methyl)amino]ethyl]carbamate
CID 167260960
2-[3-[methyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]propanoyloxy]ethyl 3-[methyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]propanoate
CID 168851314
tert-butyl N-[2-[4-hydroxybutyl(methyl)amino]ethyl]carbamate
CID 177165285
tert-butyl N-[4-[4-[bis[4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]amino]butyl-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]amino]butyl]carbamate
CID 170606638
methyl 3-[methyl-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]amino]propanoate
CID 166979736
methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 11687095
tert-butyl N-[2-(methylamino)ethyl]carbamate;molecular hydrogen
CID 144504271

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[methoxy(methyl)amino]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[methoxy(methyl)amino]ethyl]carbamate (CID 123324286) is tert-butyl N-[2-[methoxy(methyl)amino]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[methoxy(methyl)amino]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[methoxy(methyl)amino]ethyl]carbamate is CON(C)CCNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-[methoxy(methyl)amino]ethyl]carbamate?
The InChIKey is QJJZLNDOUDRDOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O3/c1-9(2,3)14-8(12)10-6-7-11(4)13-5/h6-7H2,1-5H3,(H,10,12).
What are the key properties of tert-butyl N-[2-[methoxy(methyl)amino]ethyl]carbamate?
tert-butyl N-[2-[methoxy(methyl)amino]ethyl]carbamate has a molecular weight of 204.27 g/mol, XLogP of 1.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[methoxy(methyl)amino]ethyl]carbamate is sourced from PubChem (CID 123324286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).