tert-butyl N-[2-(aminooxymethyl)-3-methylbutyl]carbamate

C11H24N2O3 — CID 105491434

IUPACtert-butyl N-[2-(aminooxymethyl)-3-methylbutyl]carbamate
SMILESCC(C)C(CNC(=O)OC(C)(C)C)CON
InChIInChI=1S/C11H24N2O3/c1-8(2)9(7-15-12)6-13-10(14)16-11(3,4)5/h8-9H,6-7,12H2,1-5H3,(H,13,14)
InChIKeyYULKDOBGWSBXHJ-UHFFFAOYSA-N
MW232.32 g/mol
LogP1.67
Rot. Bonds5

About tert-butyl N-[2-(aminooxymethyl)-3-methylbutyl]carbamate

tert-butyl N-[2-(aminooxymethyl)-3-methylbutyl]carbamate (PubChem CID 105491434) has the molecular formula C11H24N2O3 and a molecular weight of 232.32 g/mol. Its IUPAC name is tert-butyl N-[2-(aminooxymethyl)-3-methylbutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(aminooxymethyl)-3-methylbutyl]carbamate
PubChem CID105491434
Molecular FormulaC11H24N2O3
Molecular Weight232.32 g/mol
Exact Mass232.18
IUPAC Nametert-butyl N-[2-(aminooxymethyl)-3-methylbutyl]carbamate
SMILESCC(C)C(CNC(=O)OC(C)(C)C)CON
InChIInChI=1S/C11H24N2O3/c1-8(2)9(7-15-12)6-13-10(14)16-11(3,4)5/h8-9H,6-7,12H2,1-5H3,(H,13,14)
InChIKeyYULKDOBGWSBXHJ-UHFFFAOYSA-N
XLogP1.67
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 51.67
H-Bond Donors ≤ 52
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-[(2,3-dimethylbutylamino)methyl]-3-methylbutyl]carbamate
CID 107442310
tert-butyl N-(2-amino-3-methylbutyl)carbamate
CID 71437538
methyl 3-methyl-2-[[3-methyl-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]butyl]amino]butanoate
CID 107441353
tert-butyl N-[(2R)-2-aminopropyl]carbamate
CID 45072491
tert-butyl N-[2-[[(2-hydroxy-3-methylbutyl)amino]methyl]-3-methylbutyl]carbamate
CID 107442782
ethyl 2-[[3-methyl-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]butyl]amino]propanoate
CID 107442062
tert-butyl N-[(2R)-2-aminopropyl]carbamate;hydrochloride
CID 53484846
tert-butyl N-[2-[(but-3-en-2-ylamino)methyl]-3-methylbutyl]carbamate
CID 107442753
tert-butyl N-[3-methyl-2-[(4-methylpentylamino)methyl]butyl]carbamate
CID 107441983
tert-butyl N-[2-[(4-hydroxypentan-2-ylamino)methyl]-3-methylbutyl]carbamate
CID 107442650
ethyl 3-[[3-methyl-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]butyl]amino]propanoate
CID 107442125
tert-butyl N-[(2S)-2-fluoro-3-methylbutyl]carbamate
CID 144625472

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(aminooxymethyl)-3-methylbutyl]carbamate?
The IUPAC name of tert-butyl N-[2-(aminooxymethyl)-3-methylbutyl]carbamate (CID 105491434) is tert-butyl N-[2-(aminooxymethyl)-3-methylbutyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(aminooxymethyl)-3-methylbutyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(aminooxymethyl)-3-methylbutyl]carbamate is CC(C)C(CNC(=O)OC(C)(C)C)CON.
What is the InChIKey of tert-butyl N-[2-(aminooxymethyl)-3-methylbutyl]carbamate?
The InChIKey is YULKDOBGWSBXHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O3/c1-8(2)9(7-15-12)6-13-10(14)16-11(3,4)5/h8-9H,6-7,12H2,1-5H3,(H,13,14).
What are the key properties of tert-butyl N-[2-(aminooxymethyl)-3-methylbutyl]carbamate?
tert-butyl N-[2-(aminooxymethyl)-3-methylbutyl]carbamate has a molecular weight of 232.32 g/mol, XLogP of 1.67, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(aminooxymethyl)-3-methylbutyl]carbamate is sourced from PubChem (CID 105491434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).