tert-butyl N-(1-aminopentan-2-yloxy)carbamate

C10H22N2O3 — CID 105472725

IUPACtert-butyl N-(1-aminopentan-2-yloxy)carbamate
SMILESCCCC(CN)ONC(=O)OC(C)(C)C
InChIInChI=1S/C10H22N2O3/c1-5-6-8(7-11)15-12-9(13)14-10(2,3)4/h8H,5-7,11H2,1-4H3,(H,12,13)
InChIKeyPYJPRWPODPAGAG-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.57
Rot. Bonds5

About tert-butyl N-(1-aminopentan-2-yloxy)carbamate

tert-butyl N-(1-aminopentan-2-yloxy)carbamate (PubChem CID 105472725) has the molecular formula C10H22N2O3 and a molecular weight of 218.30 g/mol. Its IUPAC name is tert-butyl N-(1-aminopentan-2-yloxy)carbamate.

Molecular Properties

Compound Nametert-butyl N-(1-aminopentan-2-yloxy)carbamate
PubChem CID105472725
Molecular FormulaC10H22N2O3
Molecular Weight218.30 g/mol
Exact Mass218.16
IUPAC Nametert-butyl N-(1-aminopentan-2-yloxy)carbamate
SMILESCCCC(CN)ONC(=O)OC(C)(C)C
InChIInChI=1S/C10H22N2O3/c1-5-6-8(7-11)15-12-9(13)14-10(2,3)4/h8H,5-7,11H2,1-4H3,(H,12,13)
InChIKeyPYJPRWPODPAGAG-UHFFFAOYSA-N
XLogP1.57
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.57
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-(1-hydroxy-4-methylpentan-2-yl)oxycarbamate
CID 105492969
tert-butyl N-(3-aminooxyhexyl)carbamate
CID 105491431
2-[(2-methylpropan-2-yl)oxycarbonylamino]oxybutanoic acid
CID 102304074
tert-butyl N-(2-aminoethoxy)carbamate;hydrochloride
CID 135285194
(2R)-3-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 7020984
tert-butyl N-[(1S)-1,2-diaminoethyl]carbamate
CID 95800069
[(2-methylpropan-2-yl)oxycarbonylamino] propanoate;hydrochloride
CID 23087927
octan-4-yl 3-aminopropanoate;octan-4-yl 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 162191362
tert-butyl (2R)-2-hydroxypentanoate
CID 90988150
ethyl 2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate
CID 22662602
tert-butyl 2-(2-iodopropan-2-yl)pentanoate
CID 88905157
tert-butyl (2S)-2-(methylamino)pentanoate
CID 143115703

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(1-aminopentan-2-yloxy)carbamate?
The IUPAC name of tert-butyl N-(1-aminopentan-2-yloxy)carbamate (CID 105472725) is tert-butyl N-(1-aminopentan-2-yloxy)carbamate.
What is the SMILES notation for tert-butyl N-(1-aminopentan-2-yloxy)carbamate?
The canonical SMILES for tert-butyl N-(1-aminopentan-2-yloxy)carbamate is CCCC(CN)ONC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(1-aminopentan-2-yloxy)carbamate?
The InChIKey is PYJPRWPODPAGAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O3/c1-5-6-8(7-11)15-12-9(13)14-10(2,3)4/h8H,5-7,11H2,1-4H3,(H,12,13).
What are the key properties of tert-butyl N-(1-aminopentan-2-yloxy)carbamate?
tert-butyl N-(1-aminopentan-2-yloxy)carbamate has a molecular weight of 218.30 g/mol, XLogP of 1.57, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(1-aminopentan-2-yloxy)carbamate is sourced from PubChem (CID 105472725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).