tert-butyl N-(3-aminooxyhexyl)carbamate

C11H24N2O3 — CID 105491431

IUPACtert-butyl N-(3-aminooxyhexyl)carbamate
SMILESCCCC(CCNC(=O)OC(C)(C)C)ON
InChIInChI=1S/C11H24N2O3/c1-5-6-9(16-12)7-8-13-10(14)15-11(2,3)4/h9H,5-8,12H2,1-4H3,(H,13,14)
InChIKeyXBZLVSAXKAEYGP-UHFFFAOYSA-N
MW232.32 g/mol
LogP1.96
Rot. Bonds6

About tert-butyl N-(3-aminooxyhexyl)carbamate

tert-butyl N-(3-aminooxyhexyl)carbamate (PubChem CID 105491431) has the molecular formula C11H24N2O3 and a molecular weight of 232.32 g/mol. Its IUPAC name is tert-butyl N-(3-aminooxyhexyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(3-aminooxyhexyl)carbamate
PubChem CID105491431
Molecular FormulaC11H24N2O3
Molecular Weight232.32 g/mol
Exact Mass232.18
IUPAC Nametert-butyl N-(3-aminooxyhexyl)carbamate
SMILESCCCC(CCNC(=O)OC(C)(C)C)ON
InChIInChI=1S/C11H24N2O3/c1-5-6-9(16-12)7-8-13-10(14)15-11(2,3)4/h9H,5-8,12H2,1-4H3,(H,13,14)
InChIKeyXBZLVSAXKAEYGP-UHFFFAOYSA-N
XLogP1.96
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 51.96
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-[3-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]carbamate
CID 59367237
tert-butyl N-(3,3-dihydroxypropyl)carbamate
CID 89159940
tert-butyl N-(1-aminopentan-2-yloxy)carbamate
CID 105472725
octan-4-yl 3-aminopropanoate;octan-4-yl 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 162191362
tert-butyl N-(8-amino-3,6-dihydroxyoctyl)carbamate
CID 174908055
(2R)-2-methoxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid;hydrochloride
CID 138683443
tert-butyl N-[3-(pentan-2-ylamino)propyl]carbamate
CID 81344324
tert-butyl N-[(3R)-3-amino-4-ethyloctyl]carbamate
CID 163702622
tert-butyl N-butylcarbamate;methane
CID 153346289
tert-butyl N-(2-hydrazinylethyl)carbamate;hydrochloride
CID 146082291
tert-butyl N-[4,4,4-trifluoro-3-(trifluoromethyl)butyl]carbamate
CID 142165628
ethyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 15933116

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(3-aminooxyhexyl)carbamate?
The IUPAC name of tert-butyl N-(3-aminooxyhexyl)carbamate (CID 105491431) is tert-butyl N-(3-aminooxyhexyl)carbamate.
What is the SMILES notation for tert-butyl N-(3-aminooxyhexyl)carbamate?
The canonical SMILES for tert-butyl N-(3-aminooxyhexyl)carbamate is CCCC(CCNC(=O)OC(C)(C)C)ON.
What is the InChIKey of tert-butyl N-(3-aminooxyhexyl)carbamate?
The InChIKey is XBZLVSAXKAEYGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O3/c1-5-6-9(16-12)7-8-13-10(14)15-11(2,3)4/h9H,5-8,12H2,1-4H3,(H,13,14).
What are the key properties of tert-butyl N-(3-aminooxyhexyl)carbamate?
tert-butyl N-(3-aminooxyhexyl)carbamate has a molecular weight of 232.32 g/mol, XLogP of 1.96, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(3-aminooxyhexyl)carbamate is sourced from PubChem (CID 105491431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).