tert-butyl N-(2-azidopropyl)carbamate

C8H16N4O2 — CID 23122173

IUPACtert-butyl N-(2-azidopropyl)carbamate
SMILESCC(CNC(=O)OC(C)(C)C)N=[N+]=[N-]
InChIInChI=1S/C8H16N4O2/c1-6(11-12-9)5-10-7(13)14-8(2,3)4/h6H,5H2,1-4H3,(H,10,13)
InChIKeyFDOYGAKJURINKV-UHFFFAOYSA-N
MW200.24 g/mol
LogP2.21
Rot. Bonds3

About tert-butyl N-(2-azidopropyl)carbamate

tert-butyl N-(2-azidopropyl)carbamate (PubChem CID 23122173) has the molecular formula C8H16N4O2 and a molecular weight of 200.24 g/mol. Its IUPAC name is tert-butyl N-(2-azidopropyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2-azidopropyl)carbamate
PubChem CID23122173
Molecular FormulaC8H16N4O2
Molecular Weight200.24 g/mol
Exact Mass200.13
IUPAC Nametert-butyl N-(2-azidopropyl)carbamate
SMILESCC(CNC(=O)OC(C)(C)C)N=[N+]=[N-]
InChIInChI=1S/C8H16N4O2/c1-6(11-12-9)5-10-7(13)14-8(2,3)4/h6H,5H2,1-4H3,(H,10,13)
InChIKeyFDOYGAKJURINKV-UHFFFAOYSA-N
XLogP2.21
TPSA87.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-(2-azidobutyl)carbamate
CID 58080290
tert-butyl N-(3-azido-2-hydroxypropyl)carbamate
CID 58981724
tert-butyl N-(2-chloro-2-nitrosoethyl)carbamate
CID 91269741
tert-butyl N-[(2S)-4-diazo-2-methyl-3-oxobutyl]carbamate
CID 143729973
tert-butyl N-[(2R)-2-aminopropyl]carbamate
CID 45072491
tert-butyl N-[(2S)-2-(ethylamino)propyl]carbamate
CID 59438683
tert-butyl N-[3-methyl-2-(propylamino)butyl]carbamate
CID 107254098
tert-butyl N-[(2R)-2-aminopropyl]carbamate;hydrochloride
CID 53484846
2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 22996657
tert-butyl N-[(2S)-2-hydroxybutyl]carbamate
CID 58718643
tert-butyl N-[(2R)-3-hydroxy-2,3-dimethylbutyl]carbamate
CID 87400882
tert-butyl N-[(2R)-2-chlorosulfinylpropyl]carbamate
CID 10243434

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-azidopropyl)carbamate?
The IUPAC name of tert-butyl N-(2-azidopropyl)carbamate (CID 23122173) is tert-butyl N-(2-azidopropyl)carbamate.
What is the SMILES notation for tert-butyl N-(2-azidopropyl)carbamate?
The canonical SMILES for tert-butyl N-(2-azidopropyl)carbamate is CC(CNC(=O)OC(C)(C)C)N=[N+]=[N-].
What is the InChIKey of tert-butyl N-(2-azidopropyl)carbamate?
The InChIKey is FDOYGAKJURINKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4O2/c1-6(11-12-9)5-10-7(13)14-8(2,3)4/h6H,5H2,1-4H3,(H,10,13).
What are the key properties of tert-butyl N-(2-azidopropyl)carbamate?
tert-butyl N-(2-azidopropyl)carbamate has a molecular weight of 200.24 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-azidopropyl)carbamate is sourced from PubChem (CID 23122173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).